Geometry & MOs

Info

ID:	279950
PubChem CID:	103845893
Reduced:	NSO5C6H11 (1)
Stoich.:	ABC5D6E11 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-221.58
Dipole, Da:	6.71
IP(EA), eV:	-10.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations