Geometry & MOs

Info

ID:	295051
PubChem CID:	117512945
Reduced:	SF2O5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	334.010029
ΔH_f, kcal/mol:	-286.89
Dipole, Da:	7.66
IP(EA), eV:	-9.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methylsulfanyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2(CCCC2)C(=O)O)F)S(=O)(=O)C)F

DOS

IR

Vibrations