Geometry & MOs

Info

ID:	373929
PubChem CID:	131321407
Reduced:	NOS2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	309.92748
ΔH_f, kcal/mol:	23.65
Dipole, Da:	4.03
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-2-(difluoromethoxy)-5-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2=C(SC=C2)C=O

DOS

IR

Vibrations