Geometry & MOs

Info

ID:	192890
PubChem CID:	78322379
Reduced:	SO5H18C23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	418.087495
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	4.77
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)OC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations