Geometry & MOs

Info

ID:	325829
PubChem CID:	126685178
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	473.038598
ΔH_f, kcal/mol:	10.58
Dipole, Da:	1.01
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(Z)-1-(2,6-dichloropyridin-4-yl)prop-1-en-2-yl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C/C1=NC(=CS1)CC(C)C

DOS

IR

Vibrations