Geometry & MOs

Info

ID:	374989
PubChem CID:	131408693
Reduced:	NOSF3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	4.55
IP(EA), eV:	-8.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-5-(hydroxymethyl)-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1C(F)(F)F)SC=C2)N

DOS

IR

Vibrations