Geometry & MOs

Info

ID:	295054
PubChem CID:	117513534
Reduced:	S2O7C12H16 (1)
Stoich.:	A2B7C12D16 (1)
Weight, g/mol:	336.13953
ΔH_f, kcal/mol:	-263.71
Dipole, Da:	9.11
IP(EA), eV:	-10.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[3-methoxy-2-(thian-4-yloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)O

DOS

IR

Vibrations