Geometry & MOs

Info

ID:	371797
PubChem CID:	131271691
Reduced:	BrNSF2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	300.93724
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	2.15
IP(EA), eV:	-9.24(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(difluoromethyl)-1-benzothiophen-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)C(F)F)CC#N)Br

DOS

IR

Vibrations