Geometry & MOs

Info

ID:	214628
PubChem CID:	85083303
Reduced:	CuISCl2N2C18H23 (1)
Stoich.:	ABCD2E2F18G23 (1)
Weight, g/mol:	560.371713
ΔH_f, kcal/mol:	102.74
Dipole, Da:	9.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.247675
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-[2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepan-6-yl]-1-(2,6,6-trimethylcyclohexen-1-yl)octa-1,6-dien-4-yn-3-ol

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCCC3)SC.[Cl-].[Cl-].[Cu+2].[I-]

DOS

IR

Vibrations