Geometry & MOs

Info

ID:	322010
PubChem CID:	126668241
Reduced:	O3N8C27H38 (1)
Stoich.:	A3B8C27D38 (1)
Weight, g/mol:	406.111126
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	9.08
IP(EA), eV:	-8.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-hydroxyethoxycarbonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-prop-2-enoxycarbonyloxyethyl carbonate

Drug info:

PubChemData

Smile

CC(C)C1CNC(=O)C2=CC3=CN=C(N=C3N12)N/C(=C/C=C(\C)/N4CCN(CC4)C(=O)OC(C)(C)C)/N=C

DOS

IR

Vibrations