Geometry & MOs

Info

ID:	375133
PubChem CID:	131472613
Reduced:	SF2O2H6C11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	300.93724
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	4.32
IP(EA), eV:	-9.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1F)F)SC=C2/C=C/C(=O)O

DOS

IR

Vibrations