Geometry & MOs

Info

ID:	121980
PubChem CID:	50788646
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	2.33
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N(CC(=O)N2CCNCC2)C3CC3

DOS

IR

Vibrations