Geometry & MOs

Info

ID:	166370
PubChem CID:	74678437
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	360.130794
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	6.23
IP(EA), eV:	-9.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-nitro-2-[[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazine-1-carbonyl)hydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N(CCOC)CC2=CC=CO2

DOS

IR

Vibrations