Geometry & MOs

Info

ID:	358645
PubChem CID:	127296424
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	5.14
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,4-thiazinan-4-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations