Geometry & MOs

Info

ID:	197668
PubChem CID:	78986060
Reduced:	BrNOSCl2H10C13 (1)
Stoich.:	ABCDE2F10G13 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	1.77
IP(EA), eV:	-9.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(=O)NCC2=C(C=CS2)Br)Cl)Cl

DOS

IR

Vibrations