Geometry & MOs

Info

ID:	131186
PubChem CID:	51171076
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	3.74
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)N(C)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations