Geometry & MOs

Info

ID:	139782
PubChem CID:	52594868
Reduced:	FSO3N4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	7.13
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations