Geometry & MOs

Info

ID:

177130

PubChem CID:

76137478

Reduced:

N4O5H48C55 (1)

Stoich.:

A4B5C48D55 (1)

Weight, g/mol:

488.099717

ΔHf, kcal/mol:

30.01

Dipole, Da:

7.98

IP(EA), eV:

 -9.04(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-hydroxy-2-[3-hydroxy-4-(3-methylsulfonylphenyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1NC2=C(C(=O)N1CC3=CC=CC=C3)N=CN2C4C(C(C(O4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations