Geometry & MOs

Info

ID:	352716
PubChem CID:	127283805
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	311.049526
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	5.77
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations