Geometry & MOs

Info

ID:	87935
PubChem CID:	49898748
Reduced:	SN3O4H17C25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	499.064507
ΔH_f, kcal/mol:	27.57
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=CN4C5=CC=C(C=C5)[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations