Geometry & MOs

Info

ID:

91710

PubChem CID:

49978424

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

702.293261

ΔHf, kcal/mol:

-206.72

Dipole, Da:

12.32

IP(EA), eV:

 -8.9(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations