Geometry & MOs

Info

ID:	226753
PubChem CID:	87558091
Reduced:	ClSN2O2H9C12 (2)
Stoich.:	ABC2D2E9F12 (2)
Weight, g/mol:	439.107487
ΔH_f, kcal/mol:	67.3
Dipole, Da:	9.96
IP(EA), eV:	-8.83(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylcyclopenta-1,3-diene;pentan-3-ylidenetitanium(1+);3-phenylphenol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)N([N+]2=CC=CC(=C2)C(C=O)C(=O)C3=CC=CS3)N(Cl)Cl)C(C=O)C(=O)C4=CC=CS4

DOS

IR

Vibrations