Geometry & MOs

Info

ID:

415249

PubChem CID:

135088241

Reduced:

NO4C24H29 (1)

Stoich.:

AB4C24D29 (1)

Weight, g/mol:

688.34069

ΔHf, kcal/mol:

-140.66

Dipole, Da:

6.61

IP(EA), eV:

 -8.81(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-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

COC1=CC=CC(=C1)CCC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations