Geometry & MOs

Info

ID:	399953
PubChem CID:	135044146
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	293.018036
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	6.69
IP(EA), eV:	-9.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-thiochromen-4-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=CC(=O)O1)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations