Geometry & MOs

Info

ID:

120392

PubChem CID:

50725468

Reduced:

Cl2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

768.259374

ΔHf, kcal/mol:

-149.13

Dipole, Da:

8.47

IP(EA), eV:

 -8.67(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations