Geometry & MOs

Info

ID:	139781
PubChem CID:	52594625
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	434.17879
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	6.87
IP(EA), eV:	-8.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)N2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations