Geometry & MOs

Info

ID:	193482
PubChem CID:	78399236
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	350.044681
ΔH_f, kcal/mol:	15.76
Dipole, Da:	10.68
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C#N)C(=O)COC3=NC=NC4=CC=CC=C43)N2

DOS

IR

Vibrations