Geometry & MOs

Info

ID:	370539
PubChem CID:	127339559
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	319.077282
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	5.67
IP(EA), eV:	-9.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2=CC=CC3=C2CCC3

DOS

IR

Vibrations