Geometry & MOs

Info

ID:	83047
PubChem CID:	49857056
Reduced:	OF3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	360.063388
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,11-trihydroxy-15-(4-hydroxyphenyl)-14-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(=NC(=C2NC3=CC(=CC(=C3)F)F)C4=CC=C(C=C4)F)C1)N

DOS

IR

Vibrations