Geometry & MOs

Info

ID:

423702

PubChem CID:

135120049

Reduced:

ClON4C14H23 (1)

Stoich.:

ABC4D14E23 (1)

Weight, g/mol:

669.352634

ΔHf, kcal/mol:

-24.6

Dipole, Da:

2.3

IP(EA), eV:

 -9.15(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[2-(3-hydroxyphenyl)acetyl]-10-methyl-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

C1C[C@@]2(CCN(C[C@H]2NC1)CCN3C=C(C=N3)Cl)CO

DOS

IR

Vibrations