Geometry & MOs

Info

ID:	192891
PubChem CID:	78322380
Reduced:	SO5H18C24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	444.13953
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	5.1
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O

DOS

IR

Vibrations