Geometry & MOs

Info

ID:	88047
PubChem CID:	49900176
Reduced:	SCl2N2O4H12C19 (1)
Stoich.:	AB2C2D4E12F19 (1)
Weight, g/mol:	552.92899
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	2.46
IP(EA), eV:	-9.61(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations