Geometry & MOs

Info

ID:	211689
PubChem CID:	81049625
Reduced:	ClFSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	298.056071
ΔH_f, kcal/mol:	-127.85
Dipole, Da:	7.16
IP(EA), eV:	-9.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluoro-5-methylphenyl)-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations