Geometry & MOs

Info

ID:	46046
PubChem CID:	10520704
Reduced:	O4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	334.079429
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	1.82
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-(4-propan-2-ylphenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@H]([C@@H]2[C@H](O2)C(=O)C3=CC4=CC=CC=C4C=C3)O)O

DOS

IR

Vibrations