Geometry & MOs

Info

ID:	139220
PubChem CID:	52493136
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	5.11
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CNC3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC

DOS

IR

Vibrations