Geometry & MOs

Info

ID:	216919
PubChem CID:	85086987
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	316.113316
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	6.9
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylsulfinylmethyl)-3-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC1(C2CCC(O1)(C(=O)C2=CC3=C(C=C(C=C3)OC)OC)C)C

DOS

IR

Vibrations