Geometry & MOs

Info

ID:	370536
PubChem CID:	127339549
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	5.52
IP(EA), eV:	-9.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

DOS

IR

Vibrations