Geometry & MOs

Info

ID:

403584

PubChem CID:

135060912

Reduced:

NO6H31C34 (1)

Stoich.:

AB6C31D34 (1)

Weight, g/mol:

633.309038

ΔHf, kcal/mol:

-33.63

Dipole, Da:

5.75

IP(EA), eV:

 -9.05(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-dicyclohexyl-4-phenyl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1CC1[C@H]2[C@](O[C@H](O2)C3CC3)(C4=CC(=C(CC4)C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7

DOS

IR

Vibrations