Geometry & MOs

Info

ID:

422541

PubChem CID:

135118012

Reduced:

FN2O4C18H21 (1)

Stoich.:

AB2C4D18E21 (1)

Weight, g/mol:

593.321334

ΔHf, kcal/mol:

-137.45

Dipole, Da:

2.07

IP(EA), eV:

 -9.14(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15R)-9-benzyl-13-(2-methoxyethyl)-15-(2-methylpropyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

CN(CC1CCCC1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations