Geometry & MOs

Info

ID:	374600
PubChem CID:	131331937
Reduced:	SN5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	261.966685
ΔH_f, kcal/mol:	73.36
Dipole, Da:	6.53
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(difluoromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2C=NN=C2C(C)(C)N

DOS

IR

Vibrations