Geometry & MOs

Info

ID:	373349
PubChem CID:	131313687
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	238.037626
ΔH_f, kcal/mol:	-93.83
Dipole, Da:	2.43
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-4-(difluoromethyl)-1-benzothiophen-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(S1)C=CC(=C2O)Br

DOS

IR

Vibrations