Geometry & MOs

Info

ID:

111581

PubChem CID:

50373588

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-179.33

Dipole, Da:

6.06

IP(EA), eV:

 -8.57(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4

DOS

IR

Vibrations