Geometry & MOs

Info

ID:

421810

PubChem CID:

135116651

Reduced:

OSN6C18H22 (1)

Stoich.:

ABC6D18E22 (1)

Weight, g/mol:

695.400647

ΔHf, kcal/mol:

54.39

Dipole, Da:

3.38

IP(EA), eV:

 -8.84(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC(=NN1)C2=CC=CS2)C3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations