Geometry & MOs

Info

ID:	364182
PubChem CID:	127314480
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	376.160283
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	5.07
IP(EA), eV:	-8.37(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N)C(=O)C2CCSCC2

DOS

IR

Vibrations