Geometry & MOs

Info

ID:	160690
PubChem CID:	57389447
Reduced:	F3N3O3C28H28 (1)
Stoich.:	A3B3C3D28E28 (1)
Weight, g/mol:	474.334525
ΔH_f, kcal/mol:	-234.76
Dipole, Da:	4.26
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13E,15R)-5-hydroxy-12,15-dimethyl-11-[(1E,3Z)-octa-1,3-dienyl]-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-9-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)NC4=NC=C(C=C4)C(=O)NCCC(=O)O

DOS

IR

Vibrations