Geometry & MOs

Info

ID:

420809

PubChem CID:

135114865

Reduced:

O6N7C35H47 (1)

Stoich.:

A6B7C35D47 (1)

Weight, g/mol:

683.331899

ΔHf, kcal/mol:

-140.74

Dipole, Da:

6.49

IP(EA), eV:

 -8.83(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-17-(1,3-benzodioxole-5-carbonyl)-4-benzyl-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

CN1C=CN2C1=C(C=N2)C(=O)N3C[C@@H]4C[C@H]3C(=O)NCCCCN(CCCNC(=O)C5=CC(=C(C=C5)OC)O4)C(=O)C6CCCCCC6

DOS

IR

Vibrations