Geometry & MOs

Info

ID:	387799
PubChem CID:	134986985
Reduced:	ClN3C8H12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	268.022787
ΔH_f, kcal/mol:	21.65
Dipole, Da:	3.21
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3,5-dihydro-2H-thiochromeno[4,3-b][1,4]oxathiine 6,6-dioxide

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)Cl)C)N(C)C

DOS

IR

Vibrations