Geometry & MOs

Info

ID:	366728
PubChem CID:	127320257
Reduced:	N2S2O4C9H18 (1)
Stoich.:	A2B2C4D9E18 (1)
Weight, g/mol:	344.086449
ΔH_f, kcal/mol:	-180.5
Dipole, Da:	3.79
IP(EA), eV:	-9.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations