Geometry & MOs

Info

ID:

97435

PubChem CID:

50031686

Reduced:

F4O4N5H33C36 (1)

Stoich.:

A4B4C5D33E36 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-267.63

Dipole, Da:

6.6

IP(EA), eV:

 -8.94(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations