Geometry & MOs

Info

ID:	374657
PubChem CID:	131342356
Reduced:	INH2O2F4C7 (1)
Stoich.:	ABC2D2E4F7 (1)
Weight, g/mol:	233.012219
ΔH_f, kcal/mol:	-211.5
Dipole, Da:	3.26
IP(EA), eV:	-10.2(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-7-fluoro-1-benzothiophen-4-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1I)C=O)OC(F)(F)F)F

DOS

IR

Vibrations