Geometry & MOs

Info

ID:	315497
PubChem CID:	126627203
Reduced:	FNO2C15H17 (2)
Stoich.:	ABC2D15E17 (2)
Weight, g/mol:	438.253
ΔH_f, kcal/mol:	-241.24
Dipole, Da:	6.64
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]-methylamino]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

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

C[C@@H](C[C@@H](C(=O)NC(C)(C)CC1=CC=C(C=C1)F)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)F)C(O)OC

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

C[C@@H](C[C@@H](C(=O)NC(C)(C)CC1=CC=C(C=C1)F)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)F)C(O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):