Geometry & MOs

Info

ID:	372880
PubChem CID:	131306525
Reduced:	FOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	216.059801
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	0.93
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-difluoro-5-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C(=O)C)SC)F

DOS

IR

Vibrations