Geometry & MOs

Info

ID:	128856
PubChem CID:	51060675
Reduced:	ClN3O6H22C25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	451.093498
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	3.26
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations