Geometry & MOs

Info

ID:	224099
PubChem CID:	85338164
Reduced:	SO5N8C28H42 (1)
Stoich.:	AB5C8D28E42 (1)
Weight, g/mol:	598.128898
ΔH_f, kcal/mol:	-124.62
Dipole, Da:	4.89
IP(EA), eV:	-8.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chloro-3-nitrophenyl)-5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1C2C(C(=O)NC(N2)C3=C(N=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCCOC)NN1CC5=CC=CC=N5

DOS

IR

Vibrations