Geometry & MOs

Info

ID:

420054

PubChem CID:

135110907

Reduced:

ClN3O3C20H22 (1)

Stoich.:

AB3C3D20E22 (1)

Weight, g/mol:

643.300599

ΔHf, kcal/mol:

-79.86

Dipole, Da:

5.63

IP(EA), eV:

 -9.23(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-(5-phenoxyfuran-2-carbonyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CO2)CC(=O)N3C[C@H]([C@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations