Geometry & MOs

Info

ID:	192888
PubChem CID:	78322374
Reduced:	ClSN2O3H11C19 (1)
Stoich.:	ABC2D3E11F19 (1)
Weight, g/mol:	422.037958
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	2.06
IP(EA), eV:	-8.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[2-(2-chlorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC4=C3N=CN(C4=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations