Geometry & MOs

Info

ID:	14196
PubChem CID:	406441
Reduced:	SO4N5H17C20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	423.100125
ΔH_f, kcal/mol:	-44.56
Dipole, Da:	3.72
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)CSC2=NNC(=O)COC3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations