Geometry & MOs

Info

ID:	171115
PubChem CID:	75329801
Reduced:	ClSN2O5H17C24 (1)
Stoich.:	ABC2D5E17F24 (1)
Weight, g/mol:	561.156971
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	6.64
IP(EA), eV:	-9.42(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=CC=C4Cl)SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations