Geometry & MOs

Info

ID:	407814
PubChem CID:	135080569
Reduced:	PSO2C7H13 (1)
Stoich.:	ABC2D7E13 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	4.39
IP(EA), eV:	-9.12(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)-2,3-dihydrothiophene

Drug info:

PubChemData

Smile

CCOP(=S)(C=C=C)OCC

DOS

IR

Vibrations