Geometry & MOs

Info

ID:	311411
PubChem CID:	126591766
Reduced:	O3N8C22H24 (1)
Stoich.:	A3B8C22D24 (1)
Weight, g/mol:	449.204967
ΔH_f, kcal/mol:	21.49
Dipole, Da:	2.61
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5S,6R)-5-methoxy-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octan-6-yl] (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)C(NO)O)C5=CN=C(C=C5)N

DOS

IR

Vibrations