Geometry & MOs

Info

ID:

99933

PubChem CID:

50056358

Reduced:

N3O3C19H20 (2)

Stoich.:

A3B3C19D20 (2)

Weight, g/mol:

694.291511

ΔHf, kcal/mol:

-162.17

Dipole, Da:

3.53

IP(EA), eV:

 -8.32(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations