Geometry & MOs

Info

ID:

110703

PubChem CID:

50336510

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-210.84

Dipole, Da:

10.91

IP(EA), eV:

 -8.84(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations