Geometry & MOs

Info

ID:

296755

PubChem CID:

117591477

Reduced:

FCl2N4O4C31H41 (1)

Stoich.:

AB2C4D4E31F41 (1)

Weight, g/mol:

552.298808

ΔHf, kcal/mol:

-156.87

Dipole, Da:

8.5

IP(EA), eV:

 -9.33(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;2,6,6,9-tetramethylcycloundeca-1,4,8-triene

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations