Geometry & MOs

Info

ID:	88118
PubChem CID:	49901595
Reduced:	SCl2N2O5H10C17 (1)
Stoich.:	AB2C2D5E10F17 (1)
Weight, g/mol:	552.92899
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	6.64
IP(EA), eV:	-9.72(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations