Geometry & MOs

Info

ID:

415475

PubChem CID:

135088470

Reduced:

O2N3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

671.379518

ΔHf, kcal/mol:

-58.9

Dipole, Da:

2.34

IP(EA), eV:

 -9.35(-0.72)

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-9-phenyl-7-(1-propylpiperidin-4-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)N

DOS

IR

Vibrations