Geometry & MOs

Info

ID:	292863
PubChem CID:	117361625
Reduced:	ClNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	244.091101
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	2.82
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CSCC1C2=C(C=C(C=C2)CNO)Cl

DOS

IR

Vibrations