Geometry & MOs

Info

ID:	147941
PubChem CID:	53787601
Reduced:	OF3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	333.030708
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	2.8
IP(EA), eV:	-10.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-carboxyphenyl)sulfonyliminomethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)C=CC1=CC(=C(C(=C1)F)F)F

DOS

IR

Vibrations