Geometry & MOs

Info

ID:	358607
PubChem CID:	127296366
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-4.5
Dipole, Da:	5.49
IP(EA), eV:	-8.66(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations