Geometry & MOs

Info

ID:

422045

PubChem CID:

135117079

Reduced:

ClO2N3C23H24 (1)

Stoich.:

AB2C3D23E24 (1)

Weight, g/mol:

633.352634

ΔHf, kcal/mol:

-52.76

Dipole, Da:

4.23

IP(EA), eV:

 -8.52(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CN3C4=C(C=C(C=C4)Cl)C5=CC=CC=C53

DOS

IR

Vibrations