Geometry & MOs

Info

ID:	374507
PubChem CID:	131330606
Reduced:	BrON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	321.92971
ΔH_f, kcal/mol:	15.71
Dipole, Da:	3.6
IP(EA), eV:	-9.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-(difluoromethyl)-2-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1[C@H](C2=CC(=CC(=C2CO1)C#N)Br)N

DOS

IR

Vibrations