Geometry & MOs

Info

ID:

112030

PubChem CID:

50392813

Reduced:

N6O6C37H50 (1)

Stoich.:

A6B6C37D50 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-250.29

Dipole, Da:

2.73

IP(EA), eV:

 -8.96(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)C

DOS

IR

Vibrations