Geometry & MOs

Info

ID:

396168

PubChem CID:

135027563

Reduced:

SN3O6C21H27 (1)

Stoich.:

AB3C6D21E27 (1)

Weight, g/mol:

404.169585

ΔHf, kcal/mol:

-209.19

Dipole, Da:

7.79

IP(EA), eV:

 -9.69(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(3aR,5S)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-[(1-benzyltriazol-4-yl)methyl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CC1[C@@H](OC([C@H](C1O)O)C(=O)NCC2=CC=CC=C2)NNS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations