Geometry & MOs

Info

ID:	150236
PubChem CID:	53789923
Reduced:	OC22H24 (1)
Stoich.:	AB22C24 (1)
Weight, g/mol:	478.044222
ΔH_f, kcal/mol:	17.56
Dipole, Da:	1.47
IP(EA), eV:	-8.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2S)-2-[4-(3,4-dichlorophenyl)-3-hydroxybut-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCC#CC1=CCC2[C@@]1(CC=C3C2CCC4=C3C=CC(=C4)O)C

DOS

IR

Vibrations