Geometry & MOs

Info

ID:	150650
PubChem CID:	53790344
Reduced:	SN2O2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	430.17187
ΔH_f, kcal/mol:	-0.3
Dipole, Da:	10.82
IP(EA), eV:	-8.01(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R,5R)-5-bromo-3-hydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]-2-methylhept-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C3=C(NC(=S)O3)O)N=CC=C2

DOS

IR

Vibrations