Geometry & MOs

Info

ID:

382092

PubChem CID:

134973021

Reduced:

ON2C19H28 (1)

Stoich.:

AB2C19D28 (1)

Weight, g/mol:

868.388136

ΔHf, kcal/mol:

-20.35

Dipole, Da:

2.95

IP(EA), eV:

-8.88(0.57)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3aS,6R)-4-[[(3aS,6R)-7-hydroxy-4-[[(2R,5S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCCCCN=C=NC2CCCCC2

DOS

IR

Vibrations