Geometry & MOs

Info

ID:

423865

PubChem CID:

135120532

Reduced:

ON4C15H20 (1)

Stoich.:

AB4C15D20 (1)

Weight, g/mol:

671.306747

ΔHf, kcal/mol:

8.85

Dipole, Da:

3.69

IP(EA), eV:

 -8.97(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CCN(C2)C(=O)C3=CC=CN3C)C

DOS

IR

Vibrations