Geometry & MOs

Info

ID:	374807
PubChem CID:	131347186
Reduced:	BrNSH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	238.997176
ΔH_f, kcal/mol:	53.69
Dipole, Da:	2.54
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(chloromethyl)-4-fluoro-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)CC#N)CBr

DOS

IR

Vibrations