Geometry & MOs

Info

ID:

111166

PubChem CID:

50355095

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-265.24

Dipole, Da:

5.11

IP(EA), eV:

 -8.69(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations