Geometry & MOs

Info

ID:

193822

PubChem CID:

78443153

Reduced:

SN3O3H10C12 (1)

Stoich.:

AB3C3D10E12 (1)

Weight, g/mol:

307.083115

ΔHf, kcal/mol:

30.78

Dipole, Da:

12.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.916604

Charge, e:

 -1

Chem-info

IUPAC name:

2-nitro-6-[(quinolin-2-ylhydrazinylidene)methyl]phenolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NNC2=NC(=CS2)C(=O)[O-]

DOS

IR

Vibrations