Geometry & MOs

Info

ID:

50472

PubChem CID:

12013013

Reduced:

NO9H63C71 (1)

Stoich.:

AB9C63D71 (1)

Weight, g/mol:

1087.465933

ΔHf, kcal/mol:

-140.73

Dipole, Da:

2.79

IP(EA), eV:

 -8.91(-0.22)

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-propylpyridin-2-one

Drug info:

PubChemData

Smile

CCN1C=CC=CC1=O.C1=CC=C(C=C1)C([C@H]2[C@@H](OC(O2)C3=CC=C(C=C3)C4O[C@H]([C@@H](O4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C(C7=CC=CC=C7)(C8=CC=CC=C8)O)C(C9=CC=CC=C9)(C1=CC=CC=C1)O)(C1=CC=CC=C1)O

DOS

IR

Vibrations