Geometry & MOs

Info

ID:

47192

PubChem CID:

10530570

Reduced:

ClO2N5H22C32 (1)

Stoich.:

AB2C5D22E32 (1)

Weight, g/mol:

544.278466

ΔHf, kcal/mol:

123.06

Dipole, Da:

4.14

IP(EA), eV:

 -8.97(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4S,5S,6R,6aR)-5-acetamido-6-(methoxymethoxy)spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-yl] (1R,2S)-2-benzamidocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=CC=C3)CN4/C(=C/C5=CC=C(C=C5)Cl)/N=C(C4=O)C6=CC=CC=C6

DOS

IR

Vibrations