Geometry & MOs

Info

ID:	372936
PubChem CID:	131307221
Reduced:	O2S2N3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	242.016829
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	2.82
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-ethoxy-1-benzothiophen-6-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(SN=N1)N2CCSCC2C(=O)O

DOS

IR

Vibrations