Geometry & MOs

Info

ID:	366864
PubChem CID:	127320724
Reduced:	SN2O4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	389.111936
ΔH_f, kcal/mol:	-230.99
Dipole, Da:	6.8
IP(EA), eV:	-9.61(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCC(CC2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations