Geometry & MOs

Info

ID:	230317
PubChem CID:	87570638
Reduced:	ON2F3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	256.059172
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	4.9
IP(EA), eV:	-9.85(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[4-(methyldisulfanyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1CC2CCC(C1)(N2)NC(=O)C(F)(F)F

DOS

IR

Vibrations