Geometry & MOs

Info

ID:

109112

PubChem CID:

50273377

Reduced:

O5N6C40H48 (1)

Stoich.:

A5B6C40D48 (1)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-178.73

Dipole, Da:

12.59

IP(EA), eV:

 -8.45(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCCC6)C)C

DOS

IR

Vibrations