Geometry & MOs

Info

ID:	102540
PubChem CID:	50068061
Reduced:	F2O3N4C31H34 (1)
Stoich.:	A2B3C4D31E34 (1)
Weight, g/mol:	556.209753
ΔH_f, kcal/mol:	-177.43
Dipole, Da:	7.32
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations