Geometry & MOs

Info

ID:

91110

PubChem CID:

49973371

Reduced:

N3O3C19H22 (2)

Stoich.:

A3B3C19D22 (2)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-198.89

Dipole, Da:

9.02

IP(EA), eV:

 -8.97(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]-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=CC=C5C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations