Geometry & MOs

Info

ID:	352723
PubChem CID:	127283812
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-20.38
Dipole, Da:	3.89
IP(EA), eV:	-8.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CN3CCS(=O)CC3)C

DOS

IR

Vibrations