Geometry & MOs

Info

ID:	349903
PubChem CID:	127276708
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	6.28
IP(EA), eV:	-9.13(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations