Geometry & MOs

Info

ID:

186485

PubChem CID:

77439125

Reduced:

NO9C38H55 (1)

Stoich.:

AB9C38D55 (1)

Weight, g/mol:

726.215985

ΔHf, kcal/mol:

-408.3

Dipole, Da:

1.69

IP(EA), eV:

 -9.51(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4-(1-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-(1-prop-2-enoyloxybutoxycarbonyloxy)benzoate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(O1)OCCCCCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C)C)OC4C(C(C(C(O4)C)O)C)OC(=O)C

DOS

IR

Vibrations