Geometry & MOs

Info

ID:

101331

PubChem CID:

50064593

Reduced:

F4O4N5C31H31 (1)

Stoich.:

A4B4C5D31E31 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-293.38

Dipole, Da:

6.99

IP(EA), eV:

 -8.96(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations