Geometry & MOs

Info

ID:

16601

PubChem CID:

473588

Reduced:

N3O3C17H26 (2)

Stoich.:

A3B3C17D26 (2)

Weight, g/mol:

640.394833

ΔHf, kcal/mol:

-261.04

Dipole, Da:

9.71

IP(EA), eV:

 -9.07(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-6-amino-2-[[(2R)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-cyclohexylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3CCCCC3)C(=O)O

DOS

IR

Vibrations