Geometry & MOs

Info

ID:	54068
PubChem CID:	14719966
Reduced:	F2N3O3C16H31 (1)
Stoich.:	A2B3C3D16E31 (1)
Weight, g/mol:	633.282149
ΔH_f, kcal/mol:	-295.86
Dipole, Da:	4.82
IP(EA), eV:	-9.83(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2,2-difluoro-4-[[1-[2-[2-[(4-methoxy-4-oxobutanoyl)amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-methyl-3-oxohexyl]amino]-2-methyl-3-oxopropanoic acid

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(=O)NCC(C([C@H](CC(C)C)N)O)(F)F)NC(=O)CC(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

C[C@H](C(=O)NCC(C([C@H](CC(C)C)N)O)(F)F)NC(=O)CC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):