Geometry & MOs

Info

ID:	352709
PubChem CID:	127283798
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	-164.91
Dipole, Da:	4.76
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCCN3CCS(=O)CC3

DOS

IR

Vibrations