Geometry & MOs

Info

ID:	132565
PubChem CID:	51379676
Reduced:	SN3O4H31C33 (1)
Stoich.:	AB3C4D31E33 (1)
Weight, g/mol:	340.075587
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	7.99
IP(EA), eV:	-8.55(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-1-(3-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=C([C@H]([C@H]3C(=N2)CCCC3=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C#N

DOS

IR

Vibrations