Geometry & MOs

Info

ID:	88110
PubChem CID:	49901503
Reduced:	NSO7H17C27 (1)
Stoich.:	ABC7D17E27 (1)
Weight, g/mol:	572.021178
ΔH_f, kcal/mol:	-171.07
Dipole, Da:	5.71
IP(EA), eV:	-9.08(-2.07)
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-ethoxyphenyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC(=C5)C(=O)O)C(=O)O)/SC3=O

DOS

IR

Vibrations