Geometry & MOs

Info

ID:

113972

PubChem CID:

50466686

Reduced:

F2O4N5H33C35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

748.313996

ΔHf, kcal/mol:

-173.66

Dipole, Da:

10.44

IP(EA), eV:

 -8.56(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations