Geometry & MOs

Info

ID:	130613
PubChem CID:	51091697
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	6.98
IP(EA), eV:	-8.6(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations