Geometry & MOs

Info

ID:

395404

PubChem CID:

135025375

Reduced:

NO7C15H19 (1)

Stoich.:

AB7C15D19 (1)

Weight, g/mol:

591.283217

ΔHf, kcal/mol:

-259.95

Dipole, Da:

3.48

IP(EA), eV:

 -9.41(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(3aS,6R,7R,7aS)-2,2-dimethyl-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-3a-yl]methyl]-5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)CN3C(=CC=C3C=O)C=O)O)O)C

DOS

IR

Vibrations