Geometry & MOs

Info

ID:	366144
PubChem CID:	127319546
Reduced:	N2S2O5C15H20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-194.24
Dipole, Da:	11.9
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations