Geometry & MOs

Info

ID:	200247
PubChem CID:	79371782
Reduced:	F2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	3.9
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC2(CC3=C(C(=CC=C3)F)F)O)C=C1

DOS

IR

Vibrations