Geometry & MOs

Info

ID:	87755
PubChem CID:	49897061
Reduced:	N2S2O8C25H26 (1)
Stoich.:	A2B2C8D25E26 (1)
Weight, g/mol:	614.00085
ΔH_f, kcal/mol:	-263.1
Dipole, Da:	5.84
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-iodobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations