Geometry & MOs

Info

ID:

107094

PubChem CID:

50189775

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-219.66

Dipole, Da:

5.6

IP(EA), eV:

 -8.82(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations