Geometry & MOs

Info

ID:	366088
PubChem CID:	127319434
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	6.84
IP(EA), eV:	-9.3(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2CC3=CC=CC=C3O2

DOS

IR

Vibrations