Geometry & MOs

Info

ID:	352731
PubChem CID:	127283820
Reduced:	S2N3O4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	9.46
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations