Geometry & MOs

Info

ID:	295050
PubChem CID:	117512818
Reduced:	BrFNO4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	334.068651
ΔH_f, kcal/mol:	-190.93
Dipole, Da:	9.75
IP(EA), eV:	-9.39(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)C2CC(CN2)C(=O)O)Br)F

DOS

IR

Vibrations