Geometry & MOs

Info

ID:	133586
PubChem CID:	51558698
Reduced:	ClOSN3H7C8 (2)
Stoich.:	ABCD3E7F8 (2)
Weight, g/mol:	499.125374
ΔH_f, kcal/mol:	28.52
Dipole, Da:	2.32
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]-1-(4-nitrophenyl)-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations