Geometry & MOs

Info

ID:	54929
PubChem CID:	17389556
Reduced:	ClSN4O6C12H15 (1)
Stoich.:	ABC4D6E12F15 (1)
Weight, g/mol:	344.079055
ΔH_f, kcal/mol:	-206.9
Dipole, Da:	3.47
IP(EA), eV:	-9.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carboxamide;sulfuric acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=O)N)CCN)Cl.OS(=O)(=O)O

DOS

IR

Vibrations