Geometry & MOs

Info

ID:

111953

PubChem CID:

50388271

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-226.39

Dipole, Da:

7.04

IP(EA), eV:

 -8.69(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)-3-chloroanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations