Geometry & MOs

Info

ID:	44873
PubChem CID:	10506285
Reduced:	NO5C31H59 (1)
Stoich.:	AB5C31D59 (1)
Weight, g/mol:	432.049687
ΔH_f, kcal/mol:	-344.99
Dipole, Da:	5.46
IP(EA), eV:	-10.12(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-sulfamoylphenyl)diazenyl] 5-amino-3-methyl-1-phenylpyrazole-4-carbodithioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCC(COC(=O)C)(COC(=O)C)NC(=O)C

DOS

IR

Vibrations