Geometry & MOs

Info

ID:	137413
PubChem CID:	52205285
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	394.1021
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	5.57
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations