Geometry & MOs

Info

ID:	218873
PubChem CID:	85090093
Reduced:	SeN3O7C22H23 (1)
Stoich.:	AB3C7D22E23 (1)
Weight, g/mol:	520.091351
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	4.78
IP(EA), eV:	-8.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-[2-[3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-5-oxopyrazol-1-yl]-1,3-thiazol-4-yl]oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CN1C2C1C3(C(C4=C(N3C2)C(=O)C(C5(C4=O)OCCO5)[Se]C6=CC=CC=C6)COC(=O)N)O

DOS

IR

Vibrations