Geometry & MOs

Info

ID:	387796
PubChem CID:	134986959
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	282.038437
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	7.29
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)N)CCO

DOS

IR

Vibrations