Geometry & MOs

Info

ID:	147945
PubChem CID:	53787606
Reduced:	ClSN3O4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	363.240959
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	1.78
IP(EA), eV:	-9.29(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S)-3-hydroxy-2-(3-hydroxy-7-methylocta-1,6-dienyl)cyclopentyl]methyl]-1-azabicyclo[3.1.0]hexane-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC(=O)CN1C(=S)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

DOS

IR

Vibrations