Geometry & MOs

Info

ID:

109220

PubChem CID:

50277460

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-213.15

Dipole, Da:

8.33

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-fluorophenyl)-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations