Geometry & MOs

Info

ID:

311445

PubChem CID:

126592899

Reduced:

SO5N9C26H35 (1)

Stoich.:

AB5C9D26E35 (1)

Weight, g/mol:

402.027308

ΔHf, kcal/mol:

-49.61

Dipole, Da:

2.88

IP(EA), eV:

 -8.69(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,5R,6S,6aR)-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=NN=C(N2C3=C(N=CN=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C(=NC=C(C)C)N=C)OC(C)C

DOS

IR

Vibrations