Geometry & MOs

Info

ID:	373556
PubChem CID:	131317028
Reduced:	IN2O2F3H4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	315.95912
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	2.49
IP(EA), eV:	-9.98(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-4-ethoxy-2-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1C#N)OC(F)(F)F)I

DOS

IR

Vibrations