Geometry & MOs

Info

ID:

417877

PubChem CID:

135102948

Reduced:

OSN3C22H25 (1)

Stoich.:

ABC3D22E25 (1)

Weight, g/mol:

708.327148

ΔHf, kcal/mol:

15.73

Dipole, Da:

0.74

IP(EA), eV:

 -8.26(-0.39)

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-(4-methoxy-3,5-dimethylbenzoyl)-12-methyl-9-phenyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCC(CC3)C(C4=CC=CC=N4)O

DOS

IR

Vibrations