Geometry & MOs

Info

ID:

118412

PubChem CID:

50642264

Reduced:

Cl2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

732.259374

ΔHf, kcal/mol:

-180.91

Dipole, Da:

6.74

IP(EA), eV:

 -8.85(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC6)Cl)Cl

DOS

IR

Vibrations