Geometry & MOs

Info

ID:

43145

PubChem CID:

10318912

Reduced:

OF6H20C21 (1)

Stoich.:

AB6C20D21 (1)

Weight, g/mol:

402.109687

ΔHf, kcal/mol:

-335.93

Dipole, Da:

4.92

IP(EA), eV:

 -9.41(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6R,7S,7aS)-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations