Geometry & MOs

Info

ID:	337141
PubChem CID:	127256706
Reduced:	SO2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	-62.55
Dipole, Da:	1.38
IP(EA), eV:	-8.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-thiopyran-4-yl 5-nitrocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CC=CC(C1)CCOC(=O)C2=CCSC=C2

DOS

IR

Vibrations