Geometry & MOs

Info

ID:

103997

PubChem CID:

50086825

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

728.368619

ΔHf, kcal/mol:

-247.04

Dipole, Da:

4.98

IP(EA), eV:

 -8.78(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5)C)F

DOS

IR

Vibrations