Geometry & MOs

Info

ID:

383404

PubChem CID:

134975106

Reduced:

NSO8C20H29 (1)

Stoich.:

ABC8D20E29 (1)

Weight, g/mol:

443.161388

ΔHf, kcal/mol:

-349.46

Dipole, Da:

6.16

IP(EA), eV:

 -9.86(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@]2([C@@H]3[C@H](O[C@@H]2C4COC(O4)(C)C)OC(O3)(C)C)O

DOS

IR

Vibrations