Geometry & MOs

Info

ID:

113289

PubChem CID:

50438499

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-221.52

Dipole, Da:

6.45

IP(EA), eV:

 -8.94(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations