Geometry & MOs

Info

ID:

116665

PubChem CID:

50570654

Reduced:

ClFN5O5C31H37 (1)

Stoich.:

ABC5D5E31F37 (1)

Weight, g/mol:

774.306324

ΔHf, kcal/mol:

-229.03

Dipole, Da:

4.36

IP(EA), eV:

 -8.92(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations