Geometry & MOs

Info

ID:	165122
PubChem CID:	74502459
Reduced:	SN2O5H19C23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	412.033638
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.388772
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-4-[5-[[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(=O)[O-])C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2

DOS

IR

Vibrations