Geometry & MOs

Info

ID:

37048

PubChem CID:

8016410

Reduced:

N2O5C21H24 (1)

Stoich.:

A2B5C21D24 (1)

Weight, g/mol:

416.137222

ΔHf, kcal/mol:

-165.01

Dipole, Da:

7.44

IP(EA), eV:

 -8.58(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,17-dimethoxy-5-[(2S)-3-oxobutan-2-yl]oxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2[C@@H]1C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations