Geometry & MOs

Info

ID:

226118

PubChem CID:

87325815

Reduced:

BNF3O6C14H15 (1)

Stoich.:

ABC3D6E14F15 (1)

Weight, g/mol:

739.359116

ΔHf, kcal/mol:

-440.85

Dipole, Da:

9.28

IP(EA), eV:

 -9.23(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl 2,3-diacetyloxypropyl phosphate;triethylazanium

Drug info:

PubChemData

Smile

B1(C2=CC(=CC(=C2C(O1)CC(=O)OC(=O)C(F)(F)F)C)OCCN)O

DOS

IR

Vibrations