Geometry & MOs

Info

ID:

416812

PubChem CID:

135090467

Reduced:

ClO3N6C22H23 (1)

Stoich.:

AB3C6D22E23 (1)

Weight, g/mol:

657.327482

ΔHf, kcal/mol:

-12.05

Dipole, Da:

8.85

IP(EA), eV:

 -8.49(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C=C(CO[C@H]3CN(C[C@@H]3NC(=O)C4=CC(=CC=C4)OC1)C5=NC=C(C=C5)Cl)N=N2

DOS

IR

Vibrations