Geometry & MOs

Info

ID:

91173

PubChem CID:

49973820

Reduced:

N3O3C19H25 (2)

Stoich.:

A3B3C19D25 (2)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-244.91

Dipole, Da:

4.77

IP(EA), eV:

 -8.25(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(diethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6CCCCC6

DOS

IR

Vibrations