Geometry & MOs

Info

ID:	375134
PubChem CID:	131472625
Reduced:	BrNSF2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	300.93724
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	3.41
IP(EA), eV:	-9.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CC#N)SC(=C2C(F)F)Br

DOS

IR

Vibrations