Geometry & MOs

Info

ID:	352336
PubChem CID:	127283420
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-143.39
Dipole, Da:	3.54
IP(EA), eV:	-9.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)CC2=NOC3=CC=CC=C32

DOS

IR

Vibrations