Geometry & MOs

Info

ID:

113707

PubChem CID:

50455781

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

722.379183

ΔHf, kcal/mol:

-210.5

Dipole, Da:

8.9

IP(EA), eV:

 -8.53(-0.54)

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-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations