Geometry & MOs

Info

ID:	199303
PubChem CID:	79228008
Reduced:	SO2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	2.79
IP(EA), eV:	-8.65(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-phenyl-4-phenylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=C(C=C2)OCCSC3=CC=CC=C3)O

DOS

IR

Vibrations