Geometry & MOs

Info

ID:

189428

PubChem CID:

77854276

Reduced:

N5O6C39H55 (1)

Stoich.:

A5B6C39D55 (1)

Weight, g/mol:

723.399584

ΔHf, kcal/mol:

-272.42

Dipole, Da:

6.93

IP(EA), eV:

 -9.05(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[3-hydroxy-6-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)heptan-4-yl]amino]-1-oxohexan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)CNC(=O)CC(C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=C2C=CC=NC2=CC=C1)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations