Geometry & MOs

Info

ID:	87956
PubChem CID:	49899031
Reduced:	BrNSO3H16C25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	665.03691
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	2.96
IP(EA), eV:	-8.94(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-6-iodo-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)Br)/SC3=O

DOS

IR

Vibrations