Geometry & MOs

Info

ID:

47430

PubChem CID:

10532623

Reduced:

ZnN4H36C44 (1)

Stoich.:

AB4C36D44 (1)

Weight, g/mol:

687.283217

ΔHf, kcal/mol:

496.43

Dipole, Da:

5.99

IP(EA), eV:

 -8.89(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1C[C@H]2C=C[C@@H]1C3=C2C4=CC5=NC(=CC6=C7[C@@H]8CC[C@H](C7=C([N-]6)C=C9C1=C([C@H]2CC[C@@H]1C=C2)C(=N9)C=C3[N-]4)C=C8)C1=C5[C@@H]2CC[C@H]1C=C2.[Zn+2]

DOS

IR

Vibrations