Geometry & MOs

Info

ID:	349898
PubChem CID:	127276703
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	8.23
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations