Geometry & MOs

Info

ID:

443216

PubChem CID:

135258141

Reduced:

SO2N3C22H37 (1)

Stoich.:

AB2C3D22E37 (1)

Weight, g/mol:

731.251952

ΔHf, kcal/mol:

-53.56

Dipole, Da:

8.39

IP(EA), eV:

 -8.85(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-3-(6-aminopurin-9-yl)-1-hydroxy-2-oxabicyclo[3.1.0]hexan-6-yl]methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

CCC(C(CN(C)C)CN(C)CC1=CSC=C1)(/C(=C/C(=C\C)/C(=O)N)/C)OC

DOS

IR

Vibrations