Geometry & MOs

Info

ID:

417550

PubChem CID:

135102024

Reduced:

ON2C12H14 (2)

Stoich.:

AB2C12D14 (2)

Weight, g/mol:

504.248504

ΔHf, kcal/mol:

-28.25

Dipole, Da:

6.65

IP(EA), eV:

 -9.15(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,30S)-22-methoxy-11,20-dioxa-3,6,15,16,17,28-hexazahexacyclo[26.4.1.115,18.02,30.05,10.021,26]tetratriaconta-5(10),6,8,16,18(34),21(26),22,24-octaen-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations