Geometry & MOs

Info

ID:

118649

PubChem CID:

50652373

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-221.52

Dipole, Da:

7.46

IP(EA), eV:

 -8.31(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations