Geometry & MOs

Info

ID:	171218
PubChem CID:	75344815
Reduced:	INSO7H20C22 (1)
Stoich.:	ABCD7E20F22 (1)
Weight, g/mol:	490.083472
ΔH_f, kcal/mol:	-200.43
Dipole, Da:	4.68
IP(EA), eV:	-9.08(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3)I)OCC(=O)O

DOS

IR

Vibrations