Geometry & MOs

Info

ID:

393208

PubChem CID:

135019745

Reduced:

NSiO3C44H51 (1)

Stoich.:

ABC3D44E51 (1)

Weight, g/mol:

1097.362255

ΔHf, kcal/mol:

-96.17

Dipole, Da:

2.18

IP(EA), eV:

 -8.67(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 26-[2-[(2R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-26-azaheptadecacyclo[21.18.1.02,21.03,40.04,19.05,38.06,18.07,36.08,34.09,17.010,32.011,16.012,30.013,28.014,22.015,20.024,28]dotetraconta-1(41),2(21),3(40),4(19),5,7(36),8,10(32),11(16),12,14(22),15(20),17,23(42),29,33,37-heptadecaene-25,27-dicarboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C)C)C#CCOC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7

DOS

IR

Vibrations