Geometry & MOs

Info

ID:

180378

PubChem CID:

76624146

Reduced:

SF3N3O18C56H88 (1)

Stoich.:

AB3C3D18E56F88 (1)

Weight, g/mol:

343.16444

ΔHf, kcal/mol:

-991.18

Dipole, Da:

8.37

IP(EA), eV:

 -8.7(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-3-[5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-10-one

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OS(=O)(=O)CCNCCCCC3=CC4=C(C=C3)C(=O)C(=CN4CC(F)(F)F)C(=O)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

DOS

IR

Vibrations