Geometry & MOs

Info

ID:	54075
PubChem CID:	14719994
Reduced:	F2N7O9C46H63 (1)
Stoich.:	A2B7C9D46E63 (1)
Weight, g/mol:	511.285778
ΔH_f, kcal/mol:	-490.95
Dipole, Da:	9.66
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-6-methyl-3-oxoheptan-4-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C[C@@H](C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)[C@H](CC2=CN(C=N2)C(=O)OC(C)(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C[C@@H](C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)[C@H](CC2=CN(C=N2)C(=O)OC(C)(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):