Geometry & MOs

Info

ID:

403585

PubChem CID:

135060913

Reduced:

NO6C40H43 (1)

Stoich.:

AB6C40D43 (1)

Weight, g/mol:

510.240624

ΔHf, kcal/mol:

-112.8

Dipole, Da:

4.33

IP(EA), eV:

 -9.14(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl [5-[(2S,4S,5S)-2,5-diethyl-4-phenyl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] carbonate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2[C@](O[C@H](O2)C3CCCCC3)(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