Geometry & MOs

Info

ID:

297080

PubChem CID:

117608022

Reduced:

N4O6C31H44 (1)

Stoich.:

A4B6C31D44 (1)

Weight, g/mol:

581.321334

ΔHf, kcal/mol:

-215.77

Dipole, Da:

2.23

IP(EA), eV:

 -8.71(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2S)-3-(3H-benzimidazol-5-yl)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@]3(CO3)C)NC(=O)[C@@H]4CCCN(C4)C

DOS

IR

Vibrations