Geometry & MOs

Info

ID:	382310
PubChem CID:	134973380
Reduced:	S2N3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	610.89849
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	2.62
IP(EA), eV:	-9.28(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;[3,5-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)azanide;copper(1+);iodobenzene

Drug info:

PubChemData

Smile

CC(C)(C)N=C1/C(=C(\C#N)/C(=O)OC)/SC(=C(C#N)C(=O)OC)S1

DOS

IR

Vibrations