Geometry & MOs

Info

ID:

120181

PubChem CID:

50716920

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

692.228074

ΔHf, kcal/mol:

-227.07

Dipole, Da:

7.6

IP(EA), eV:

 -8.71(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations