Geometry & MOs

Info

ID:	246656
PubChem CID:	103064457
Reduced:	ON2S2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	310.08097
ΔH_f, kcal/mol:	18.68
Dipole, Da:	3.78
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CSC(=C2)C#CCN

DOS

IR

Vibrations