Geometry & MOs

Info

ID:	50308
PubChem CID:	12012825
Reduced:	ClH3N5C6 (1)
Stoich.:	AB3C5D6 (1)
Weight, g/mol:	392.061197
ΔH_f, kcal/mol:	180.61
Dipole, Da:	0.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.028710
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-diphenylphosphanyl-2,4-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

C(#N)C1=C(C(=C(N=C1[NH])[NH])Cl)[NH]

DOS

IR

Vibrations