Geometry & MOs

Info

ID:

107392

PubChem CID:

50201330

Reduced:

O3F4N4C31H32 (1)

Stoich.:

A3B4C4D31E32 (1)

Weight, g/mol:

618.202081

ΔHf, kcal/mol:

-282.79

Dipole, Da:

7.51

IP(EA), eV:

 -9.1(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations