Geometry & MOs

Info

ID:

102701

PubChem CID:

50069074

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-220.99

Dipole, Da:

6.31

IP(EA), eV:

 -8.48(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-methylphenyl]-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=C(C=CC(=C5)C(=O)NC6CCCC6)OC

DOS

IR

Vibrations