Geometry & MOs

Info

ID:

219659

PubChem CID:

85164389

Reduced:

NOSnC29H49 (1)

Stoich.:

ABCD29E49 (1)

Weight, g/mol:

546.222683

ΔHf, kcal/mol:

-52.37

Dipole, Da:

0.85

IP(EA), eV:

-8.36(0.69)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

dimethyl 4,18-dioxo-2,5,10,16,19,24-hexazapentacyclo[20.6.1.18,11.025,29.015,30]triaconta-1(28),8,11(30),12,14,22,25(29),26-octaene-6,20-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CCN1CCCC2C1CC3=C(C2)C(=CC=C3)OC

DOS

IR

Vibrations