Geometry & MOs

Info

ID:	121981
PubChem CID:	50788647
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	6.46
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N3CCNCC3)OC

DOS

IR

Vibrations