Geometry & MOs

Info

ID:

111900

PubChem CID:

50385836

Reduced:

FO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-221.97

Dipole, Da:

3.95

IP(EA), eV:

 -8.75(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5)F

DOS

IR

Vibrations