Geometry & MOs

Info

ID:	88363
PubChem CID:	49903060
Reduced:	BrNSO6H18C24 (1)
Stoich.:	ABCD6E18F24 (1)
Weight, g/mol:	525.02456
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	6.74
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-bromo-2-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC(=O)C4=CC=CO4

DOS

IR

Vibrations