Geometry & MOs

Info

ID:	88040
PubChem CID:	49900098
Reduced:	SCl2N2O4H16C21 (1)
Stoich.:	AB2C2D4E16F21 (1)
Weight, g/mol:	510.005527
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	1.97
IP(EA), eV:	-9.08(-1.53)
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]-2-ethoxy-3-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC#N

DOS

IR

Vibrations