Geometry & MOs

Info

ID:

50471

PubChem CID:

12013012

Reduced:

NO9H65C69 (1)

Stoich.:

AB9C65D69 (1)

Weight, g/mol:

1073.450283

ΔHf, kcal/mol:

-193.77

Dipole, Da:

1.99

IP(EA), eV:

 -8.99(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-2-[4-[(4R,5R)-4,5-bis[hydroxy(diphenyl)methyl]-1,3-dioxolan-2-yl]phenyl]-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol;1-ethylpyridin-2-one

Drug info:

PubChemData

Smile

CCN1C=CC=CC1=O.C1CC2(CC3(C1)O[C@H]([C@@H](O3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C(C6=CC=CC=C6)(C7=CC=CC=C7)O)O[C@H]([C@@H](O2)C(C8=CC=CC=C8)(C9=CC=CC=C9)O)C(C1=CC=CC=C1)(C1=CC=CC=C1)O

DOS

IR

Vibrations