Geometry & MOs

Info

ID:	387869
PubChem CID:	134987206
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	281.018036
ΔH_f, kcal/mol:	-132.07
Dipole, Da:	11.06
IP(EA), eV:	-8.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6,7-bis(methylsulfanyl)-2H-isoquinoline-3,5,8-trione

Drug info:

PubChemData

Smile

CCOC1=C(C(=S)N=C(N1)OCC)C(=O)OCC

DOS

IR

Vibrations