Geometry & MOs

Info

ID:	404784
PubChem CID:	135070912
Reduced:	FNO5H26C27 (1)
Stoich.:	ABC5D26E27 (1)
Weight, g/mol:	306.110338
ΔH_f, kcal/mol:	-184.06
Dipole, Da:	1.74
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-5,8-dihydroxy-2,2-dimethyl-[1,3]dioxino[4,5-b][1]benzofuran-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)C4=CC(=C(C(=C4)F)OC)OC

DOS

IR

Vibrations