Geometry & MOs

Info

ID:

113503

PubChem CID:

50448667

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-206.45

Dipole, Da:

6.04

IP(EA), eV:

 -8.88(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations