Geometry & MOs

Info

ID:	246148
PubChem CID:	103046626
Reduced:	ClFNOC16H21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	279.997236
ΔH_f, kcal/mol:	-91.02
Dipole, Da:	1.6
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorophenyl)methylsulfonyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC1CCCCCN1CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations