Geometry & MOs

Info

ID:

417057

PubChem CID:

135091235

Reduced:

FN2O5C19H23 (1)

Stoich.:

AB2C5D19E23 (1)

Weight, g/mol:

611.343132

ΔHf, kcal/mol:

-190.57

Dipole, Da:

4.66

IP(EA), eV:

 -9.23(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9R,12S,19S,21R)-12-amino-21-hydroxy-6-(1H-indol-3-ylmethyl)-9-methyl-3-(2-methylpropyl)-1,4,7,10,17-pentazabicyclo[17.3.0]docosane-2,5,8,11,18-pentone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCC3CCC(CC3)CO)C(=O)O)F

DOS

IR

Vibrations