Geometry & MOs

Info

ID:	151031
PubChem CID:	53790728
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	9.7
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-cyclopentyl-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-N-(4-nitronaphthalen-1-yl)-1,3-thiazolidin-2-imine

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CSC(=NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])N1C4CCCC4)OC(C)(C)C

DOS

IR

Vibrations