Geometry & MOs

Info

ID:	56697
PubChem CID:	22387991
Reduced:	FCl2O2N3H12C16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	349.993506
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	1.9
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dichlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=CC(=C(C=C3Cl)Cl)F)N=C(C=C2)C(=O)OC

DOS

IR

Vibrations