Geometry & MOs

Info

ID:

418700

PubChem CID:

135106581

Reduced:

ON6C19H20 (1)

Stoich.:

AB6C19D20 (1)

Weight, g/mol:

675.374432

ΔHf, kcal/mol:

83.42

Dipole, Da:

1.79

IP(EA), eV:

 -8.92(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-2,5,8,11-tetraoxo-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-17-carbonyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C4=NOC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations