Geometry & MOs

Info

ID:

318710

PubChem CID:

126652798

Reduced:

N6H76C105 (1)

Stoich.:

A6B76C105 (1)

Weight, g/mol:

490.132256

ΔHf, kcal/mol:

448.5

Dipole, Da:

5.37

IP(EA), eV:

 -7.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC(=C5C6=CC=CC=C6N(C5=C4)C7=CC=C(C=C7)C8=C9C1=CC=CC=C1N(C9=CC(=C8)C1=CC=C(C=C1)N(C)C1=CC=CC=C1)C1=CC=CC=C1)CN1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations