Geometry & MOs

Info

ID:	402467
PubChem CID:	135056090
Reduced:	SO3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	339.056529
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	3.19
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methylsulfanyl-5-(3-nitrophenyl)furan-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CSC1=C(C=C(O1)C2=CC=CO2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations