Geometry & MOs

Info

ID:	291644
PubChem CID:	113455199
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	303.997236
ΔH_f, kcal/mol:	0.2
Dipole, Da:	0.52
IP(EA), eV:	-8.55(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-fluoro-5-pent-3-ynylsulfonylbenzoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OCCC#CC)NC

DOS

IR

Vibrations