Geometry & MOs

Info

ID:	245550
PubChem CID:	99453846
Reduced:	ClFO3N4H14C19 (1)
Stoich.:	ABC3D4E14F19 (1)
Weight, g/mol:	478.128646
ΔH_f, kcal/mol:	11.59
Dipole, Da:	1.02
IP(EA), eV:	-9.04(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)sulfonyl-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3F

DOS

IR

Vibrations