Geometry & MOs

Info

ID:	219725
PubChem CID:	85164685
Reduced:	BrSN3O6C25H26 (1)
Stoich.:	ABC3D6E25F26 (1)
Weight, g/mol:	574.168641
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	6.25
IP(EA), eV:	-9.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[(5-methoxy-3-methyl-1-oxo-3H-benzo[f][2]benzofuran-4-yl)oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COC(=O)C3=CC=CC=C3)N4CC(C(=O)NC4=O)C=CBr

DOS

IR

Vibrations