Geometry & MOs

Info

ID:

103231

PubChem CID:

50071343

Reduced:

N3O3C22H25 (2)

Stoich.:

A3B3C22D25 (2)

Weight, g/mol:

758.379183

ΔHf, kcal/mol:

-193.76

Dipole, Da:

10.39

IP(EA), eV:

 -8.2(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=CC=C6C

DOS

IR

Vibrations