Geometry & MOs

Info

ID:	348680
PubChem CID:	127273791
Reduced:	SO2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	5.32
Dipole, Da:	11.73
IP(EA), eV:	-8.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-3-ylmethyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations