Geometry & MOs

Info

ID:	87897
PubChem CID:	49898479
Reduced:	NSO4H27C28 (1)
Stoich.:	ABC4D27E28 (1)
Weight, g/mol:	447.114044
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	4.71
IP(EA), eV:	-8.57(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations