Geometry & MOs

Info

ID:	87822
PubChem CID:	49897750
Reduced:	SN2O6C22H28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	482.130028
ΔH_f, kcal/mol:	-217.53
Dipole, Da:	5.4
IP(EA), eV:	-8.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,5-dimethyl-3-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC

DOS

IR

Vibrations