Geometry & MOs

Info

ID:	194042
PubChem CID:	78472746
Reduced:	SO3N4H9C14 (1)
Stoich.:	AB3C4D9E14 (1)
Weight, g/mol:	305.12498
ΔH_f, kcal/mol:	90.86
Dipole, Da:	8.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.379117
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[(4-methyl-6-oxo-1,3-diazinan-2-yl)hydrazinylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

DOS

IR

Vibrations