Geometry & MOs

Info

ID:

178485

PubChem CID:

76336142

Reduced:

O2N3H21C23 (2)

Stoich.:

A2B3C21D23 (2)

Weight, g/mol:

438.215472

ΔHf, kcal/mol:

-24.35

Dipole, Da:

1.85

IP(EA), eV:

 -8.18(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(1S,2R)-2-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]carbamoyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C=CN=C(C2=CC=C1)C(=O)N3CCC[C@H]3C(=O)NC4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)C7=NC=C(C8=CC=CC=C87)C

DOS

IR

Vibrations