Geometry & MOs

Info

ID:	370535
PubChem CID:	127339548
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	5.62
IP(EA), eV:	-9.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-[3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2CSC3(N2C(=O)CC3)C

DOS

IR

Vibrations