Geometry & MOs

Info

ID:

417756

PubChem CID:

135102647

Reduced:

ClON5C16H20 (1)

Stoich.:

ABC5D16E20 (1)

Weight, g/mol:

618.280198

ΔHf, kcal/mol:

30.93

Dipole, Da:

4.78

IP(EA), eV:

 -9.43(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-17-hydroxy-3-(1H-indol-3-ylmethyl)-7-(2-methoxyacetyl)-12-methyl-9-phenyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCCN(CC2)C(=O)C3=C(C=NC=C3)Cl

DOS

IR

Vibrations