Geometry & MOs

Info

ID:

416166

PubChem CID:

135089174

Reduced:

SO5N6C27H34 (1)

Stoich.:

AB5C6D27E34 (1)

Weight, g/mol:

691.348218

ΔHf, kcal/mol:

-115.78

Dipole, Da:

2.61

IP(EA), eV:

 -8.83(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-(quinoxaline-6-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

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)C4=COC=C4)N=N3

DOS

IR

Vibrations