Geometry & MOs

Info

ID:

82351

PubChem CID:

49855924

Reduced:

NSiBr2O8C46H55 (1)

Stoich.:

ABC2D8E46F55 (1)

Weight, g/mol:

777.369694

ΔHf, kcal/mol:

-208.22

Dipole, Da:

2.5

IP(EA), eV:

 -8.4(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S,4R,6R)-6-[(2S,5S)-17-methoxy-6,6,14-trimethyl-12-phenylmethoxy-9,19-dioxa-6-silapentacyclo[8.7.1.12,5.05,18.011,16]nonadeca-1(17),3,10(18),11(16),12,14-hexaen-2-yl]-2-methyl-3-phenylmethoxyoxan-4-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=CC=C(O2)[Si](C)(C)CCOC3=C(C(=C(C4=C3C(=CC(=C4)C)OCC5=CC=CC=C5)OC)Br)Br)N(C)C(=O)OC(C)(C)C)OCC6=CC=CC=C6

DOS

IR

Vibrations