Geometry & MOs

Info

ID:	44619
PubChem CID:	10504447
Reduced:	FSiO4N5C21H34 (1)
Stoich.:	ABC4D5E21F34 (1)
Weight, g/mol:	468.214803
ΔH_f, kcal/mol:	-236.17
Dipole, Da:	2.99
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7,9-tetramethoxy-4,8-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)F)OC4CCCCO4

DOS

IR

Vibrations