Geometry & MOs

Info

ID:	374292
PubChem CID:	131326312
Reduced:	BrNSO2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	242.021307
ΔH_f, kcal/mol:	-195.58
Dipole, Da:	2.33
IP(EA), eV:	-10.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-6-methyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)Br)S(=O)(=O)N)C(F)F

DOS

IR

Vibrations