Geometry & MOs

Info

ID:

396209

PubChem CID:

135027723

Reduced:

NO4C14H16 (2)

Stoich.:

AB4C14D16 (2)

Weight, g/mol:

655.289365

ΔHf, kcal/mol:

-258.78

Dipole, Da:

5.62

IP(EA), eV:

 -9.52(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,10S)-8-[(N-acetyl-N,N'-dibenzylcarbamimidoyl)amino]-6-methoxy-10-methyl-3-oxo-9-phenylmethoxy-2,5-dioxatricyclo[5.2.2.04,8]undecan-10-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@]1(CC2C(OC3[C@@]2(C(C1OC3=O)OCC4=CC=CC=C4)NC(=O)NCC5=CC=CC=C5)OC)C

DOS

IR

Vibrations