Geometry & MOs

Info

ID:	86736
PubChem CID:	49888781
Reduced:	ClSN2O5H21C26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	479.059422
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	2.63
IP(EA), eV:	-8.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations