Geometry & MOs

Info

ID:

113309

PubChem CID:

50439228

Reduced:

F3O4N5C33H36 (1)

Stoich.:

A3B4C5D33E36 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-269.64

Dipole, Da:

5.04

IP(EA), eV:

 -8.88(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,6-difluoroanilino)-3-oxopropyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations