Geometry & MOs

Info

ID:

411214

PubChem CID:

135084027

Reduced:

CuSN3O4C37H39 (1)

Stoich.:

ABC3D4E37F39 (1)

Weight, g/mol:

960.11481

ΔHf, kcal/mol:

72.71

Dipole, Da:

2.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.111840

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\C2=CC=CC=C2.CC(C)(C1=N[C@H](CO1)CC2=CC=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4.[Cu]

DOS

IR

Vibrations