Geometry & MOs

Info

ID:

423739

PubChem CID:

135120137

Reduced:

ClON5C15H24 (1)

Stoich.:

ABC5D15E24 (1)

Weight, g/mol:

662.342798

ΔHf, kcal/mol:

-31.01

Dipole, Da:

1.22

IP(EA), eV:

 -8.77(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)Cl

DOS

IR

Vibrations