Geometry & MOs

Info

ID:

15467

PubChem CID:

442345

Reduced:

NO3C19H21 (2)

Stoich.:

AB3C19D21 (2)

Weight, g/mol:

622.304287

ΔHf, kcal/mol:

-136.53

Dipole, Da:

3.21

IP(EA), eV:

 -8.2(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

DOS

IR

Vibrations