Geometry & MOs

Info

ID:	401309
PubChem CID:	135050882
Reduced:	N3O5H16C18 (1)
Stoich.:	A3B5C16D18 (1)
Weight, g/mol:	300.995563
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759063
Charge, e:	0

Chem-info

IUPAC name:

sodium;2,2-dicyano-1-[(4-methylphenyl)sulfonylamino]ethenethiolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=O)/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations