Geometry & MOs

Info

ID:

97009

PubChem CID:

50026829

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

581.224989

ΔHf, kcal/mol:

-220.55

Dipole, Da:

5.74

IP(EA), eV:

 -8.93(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations