Geometry & MOs

Info

ID:

112063

PubChem CID:

50393465

Reduced:

FO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-294.26

Dipole, Da:

4.91

IP(EA), eV:

 -8.8(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C)F

DOS

IR

Vibrations