Geometry & MOs

Info

ID:	87765
PubChem CID:	49897124
Reduced:	SN2O6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	458.093643
ΔH_f, kcal/mol:	-198.83
Dipole, Da:	5.03
IP(EA), eV:	-8.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3

DOS

IR

Vibrations