Geometry & MOs

Info

ID:	153879
PubChem CID:	56313211
Reduced:	N2F3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	484.103911
ΔH_f, kcal/mol:	-233.72
Dipole, Da:	3.64
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations