Geometry & MOs

Info

ID:	416279
PubChem CID:	135089291
Reduced:	FON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	554.290449
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	4.47
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-13-[2-(4-fluorophenyl)acetyl]-23-methoxy-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C)NC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations