Geometry & MOs

Info

ID:	166696
PubChem CID:	74723235
Reduced:	ClN3O4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	434.13521
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	6.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089900
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1C(=NN(C12C3=CC=CC=C3NC2=O)C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Cl

DOS

IR

Vibrations