Geometry & MOs

Info

ID:	301957
PubChem CID:	123105117
Reduced:	ClOSH17C20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	312.022308
ΔH_f, kcal/mol:	32.98
Dipole, Da:	4.65
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-chlorophenyl)methylsulfinylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations