Geometry & MOs

Info

ID:	398747
PubChem CID:	135035186
Reduced:	FO2N4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	50.19
Dipole, Da:	3.23
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,9R,17S)-1,12,17-trimethyl-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadeca-7,11(15)-diene-14,16-dione

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C3(O2)C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)F)C6=CC=CC=C6

DOS

IR

Vibrations