Geometry & MOs

Info

ID:

214690

PubChem CID:

85083418

Reduced:

BrClFN2O3S3H19C21 (1)

Stoich.:

ABCD2E3F3G19H21 (1)

Weight, g/mol:

579.12188

ΔHf, kcal/mol:

-76.97

Dipole, Da:

4.51

IP(EA), eV:

 -8.99(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-hydroxy-3-[4-hydroxy-3-(methoxymethoxy)oxolan-2-yl]-4-(2-nitrophenyl)selanylbutyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(S3)SC4=CC=C(C=C4)F)Br)Cl

DOS

IR

Vibrations