Geometry & MOs

Info

ID:

340100

PubChem CID:

127262109

Reduced:

O5N11C37H51 (1)

Stoich.:

A5B11C37D51 (1)

Weight, g/mol:

621.354288

ΔHf, kcal/mol:

-155.24

Dipole, Da:

4.91

IP(EA), eV:

 -8.82(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(C1=CC2=CC=CC=C2C=C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations