Geometry & MOs

Info

ID:	294641
PubChem CID:	117477648
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	296.10823
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	4.72
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(CNC)O)OC

DOS

IR

Vibrations