Geometry & MOs

Info

ID:

416125

PubChem CID:

135089133

Reduced:

ON3C10H13 (2)

Stoich.:

AB3C10D13 (2)

Weight, g/mol:

648.327148

ΔHf, kcal/mol:

-13.85

Dipole, Da:

4.93

IP(EA), eV:

 -8.48(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-23-hydroxy-4-(2-methylpropyl)-17-(pyridine-2-carbonyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=NNC5=C4COCC5

DOS

IR

Vibrations