Geometry & MOs

Info

ID:	372575
PubChem CID:	131300039
Reduced:	INO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	306.91142
ΔH_f, kcal/mol:	-209.92
Dipole, Da:	3.49
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-(difluoromethyl)-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC(=O)O)C(F)(F)F)N)I

DOS

IR

Vibrations