Geometry & MOs

Info

ID:	134448
PubChem CID:	51698385
Reduced:	SO2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	400.217107
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	3.23
IP(EA), eV:	-9.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]sulfanylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)OC(S1)(C)C

DOS

IR

Vibrations