Geometry & MOs

Info

ID:	370547
PubChem CID:	127339628
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-155.53
Dipole, Da:	4.99
IP(EA), eV:	-10.03(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)CC2CCCC2

DOS

IR

Vibrations