Geometry & MOs

Info

ID:	326913
PubChem CID:	126688653
Reduced:	ClO4N10C23H31 (1)
Stoich.:	AB4C10D23E31 (1)
Weight, g/mol:	275.079373
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	4.49
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,6S)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)NC3=NC=C(C(=N3)N[C@@H]4COC5C4OC[C@@H]5N=[N+]=[N-])Cl

DOS

IR

Vibrations