Geometry & MOs

Info

ID:	352755
PubChem CID:	127283844
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	3.32
IP(EA), eV:	-8.45(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-1-[(1-oxo-1,4-thiazinan-4-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCS(=O)CC2

DOS

IR

Vibrations