Geometry & MOs

Info

ID:

114711

PubChem CID:

50493888

Reduced:

F3O3N4C29H29 (1)

Stoich.:

A3B3C4D29E29 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-214.28

Dipole, Da:

2.41

IP(EA), eV:

 -9.15(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations