Geometry & MOs

Info

ID:	125239
PubChem CID:	50916368
Reduced:	NO2S2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	402.220638
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	5.67
IP(EA), eV:	-9.21(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC#CC(C1CCCCC1)S(=O)(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations