Geometry & MOs

Info

ID:

100890

PubChem CID:

50064142

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-219.81

Dipole, Da:

11.95

IP(EA), eV:

 -8.88(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations