Geometry & MOs

Info

ID:

116687

PubChem CID:

50571951

Reduced:

Cl2O5N6C40H52 (1)

Stoich.:

A2B5C6D40E52 (1)

Weight, g/mol:

774.306324

ΔHf, kcal/mol:

-238.24

Dipole, Da:

9.99

IP(EA), eV:

 -8.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6CCCCC6

DOS

IR

Vibrations