Geometry & MOs

Info

ID:	320847
PubChem CID:	126663866
Reduced:	BrFO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	418.117629
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	1.65
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,12aR)-8-(aminomethyl)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C(=C1C(=O)OC2=CC=CC=C2)C)F)C(C)C)Br

DOS

IR

Vibrations