Geometry & MOs

Info

ID:	392352
PubChem CID:	135014641
Reduced:	O6C41H60 (1)
Stoich.:	A6B41C60 (1)
Weight, g/mol:	467.07909
ΔH_f, kcal/mol:	-278.58
Dipole, Da:	4.25
IP(EA), eV:	-9.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-5-acetamido-3,4-diacetyloxy-6-(3-bromopropoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCC/C=C/CCCCC12CCC([C@H](O1)[C@@H](O2)CCCCCOCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations