Geometry & MOs

Info

ID:	88136
PubChem CID:	49901822
Reduced:	NSCl3O3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	558.005527
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	5.29
IP(EA), eV:	-9.1(-1.22)
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-methoxyphenyl] 3-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations