Geometry & MOs

Info

ID:	358617
PubChem CID:	127296376
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-162.67
Dipole, Da:	6.08
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations