Geometry & MOs

Info

ID:	271578
PubChem CID:	103684393
Reduced:	SN2O2C7H12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	3.4
IP(EA), eV:	-10.01(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1CC#N

DOS

IR

Vibrations