Geometry & MOs

Info

ID:	325830
PubChem CID:	126685183
Reduced:	NSCl3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	459.130478
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	9.98
IP(EA), eV:	-9.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(2S,3R,5R)-5-chloro-3-(oxan-2-yloxy)-2-prop-1-en-2-ylcyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/C1=CC(=NC(=C1)Cl)Cl)/[C@H]2[C@@H](C[C@H]([C@@H]2CCCC3=CC=C(S3)C(=O)O)Cl)O

DOS

IR

Vibrations