Geometry & MOs

Info

ID:	367695
PubChem CID:	127325446
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-211.01
Dipole, Da:	9.98
IP(EA), eV:	-8.84(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(C(CCC1=O)C(=O)NC2CCCS(=O)(=O)C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations