Geometry & MOs

Info

ID:	183002
PubChem CID:	76968566
Reduced:	SO2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	246.071451
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	1.59
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CSC=C2)C(=O)OC

DOS

IR

Vibrations