Geometry & MOs

Info

ID:

96564

PubChem CID:

50022294

Reduced:

F3O4N5C33H36 (1)

Stoich.:

A3B4C5D33E36 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-267.44

Dipole, Da:

10.96

IP(EA), eV:

 -9.04(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations