Geometry & MOs

Info

ID:	87278
PubChem CID:	49893569
Reduced:	BrNSCl2O3H14C20 (1)
Stoich.:	ABCD2E3F14G20 (1)
Weight, g/mol:	523.145344
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	3.75
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations