Geometry & MOs

Info

ID:	186519
PubChem CID:	77441613
Reduced:	BrN2S2O9C20H23 (1)
Stoich.:	AB2C2D9E20F23 (1)
Weight, g/mol:	714.491813
ΔH_f, kcal/mol:	-328.65
Dipole, Da:	8.79
IP(EA), eV:	-9.75(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-hydroxy-2,9-bis(methoxymethoxy)-9-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)OC)S(=O)(=O)NCC2C(C(C(C(O2)O)NC(=O)C3=CC(=CC=C3)Br)O)O

DOS

IR

Vibrations