Geometry & MOs

Info

ID:	87902
PubChem CID:	49898503
Reduced:	INSO4H24C26 (1)
Stoich.:	ABCD4E24F26 (1)
Weight, g/mol:	616.06676
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	6.08
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-6-ethoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC

DOS

IR

Vibrations