Geometry & MOs

Info

ID:

113994

PubChem CID:

50467408

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

736.394833

ΔHf, kcal/mol:

-219.54

Dipole, Da:

5.81

IP(EA), eV:

 -8.62(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations