Geometry & MOs

Info

ID:	173712
PubChem CID:	75673003
Reduced:	S2O3N5C13H15 (1)
Stoich.:	A2B3C5D13E15 (1)
Weight, g/mol:	422.093643
ΔH_f, kcal/mol:	-63.83
Dipole, Da:	3.07
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[4-[[1-(3,5-dimethylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)SCC(=O)NNC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations