Geometry & MOs

Info

ID:	171221
PubChem CID:	75344969
Reduced:	ClNS2O6H20C28 (1)
Stoich.:	ABC2D6E20F28 (1)
Weight, g/mol:	584.065629
ΔH_f, kcal/mol:	-133.75
Dipole, Da:	1.17
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[3-[2-(2-chlorophenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3C=C4C(=O)N(C(=O)S4)CCOC5=CC=CC=C5Cl

DOS

IR

Vibrations