Geometry & MOs

Info

ID:

422060

PubChem CID:

135117115

Reduced:

NO3C22H27 (1)

Stoich.:

AB3C22D27 (1)

Weight, g/mol:

535.279469

ΔHf, kcal/mol:

-85.52

Dipole, Da:

6.36

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,22-dimethoxy-9,18-dioxa-1,12,13,14,26-pentazapentacyclo[27.3.1.111,14.03,8.019,24]tetratriaconta-3(8),4,6,11(34),12,19(24),20,22-octaen-25-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CC2=CC=CC3=CC=CC=C32)C4CC4

DOS

IR

Vibrations