Geometry & MOs

Info

ID:	87612
PubChem CID:	49895811
Reduced:	SO5N6C29H30 (1)
Stoich.:	AB5C6D29E30 (1)
Weight, g/mol:	441.124609
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	1.26
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-methoxy-5-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6)/SC2=O

DOS

IR

Vibrations