Geometry & MOs

Info

ID:	191530
PubChem CID:	78159471
Reduced:	SN5O7C11H17 (1)
Stoich.:	AB5C7D11E17 (1)
Weight, g/mol:	783.00719
ΔH_f, kcal/mol:	-200.97
Dipole, Da:	5.74
IP(EA), eV:	-9.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(benzylideneamino)urea;1-methyl-4-propan-2-ylbenzene;ruthenium;tetrahydrochloride

Drug info:

PubChemData

Smile

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NNC(=O)C3CC3N

DOS

IR

Vibrations