Geometry & MOs

Info

ID:	372576
PubChem CID:	131300089
Reduced:	BrNSF2O2H4C9 (1)
Stoich.:	ABCD2E2F4G9 (1)
Weight, g/mol:	306.91142
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	4.67
IP(EA), eV:	-9.52(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-(difluoromethyl)-5-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1[N+](=O)[O-])C(=CS2)Br)C(F)F

DOS

IR

Vibrations