Geometry & MOs

Info

ID:	325825
PubChem CID:	126685166
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	458.027699
ΔH_f, kcal/mol:	112.6
Dipole, Da:	0.64
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C=C/C=C(\C=C)/C=N/NC1=CC=CC=N1

DOS

IR

Vibrations