Geometry & MOs

Info

ID:

109948

PubChem CID:

50302920

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-177.22

Dipole, Da:

5.79

IP(EA), eV:

 -8.64(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations