Geometry & MOs

Info

ID:	389145
PubChem CID:	134991303
Reduced:	ZrS2N4O4C28H38 (1)
Stoich.:	AB2C4D4E28F38 (1)
Weight, g/mol:	348.120895
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	8.39
IP(EA), eV:	-6.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)[N-]C2=CC=CC=C2[N-]S(=O)(=O)C3=C(C=C(C=C3C)C)C)C.C[N-]C.C[N-]C.[Zr+4]

DOS

IR

Vibrations