Geometry & MOs

Info

ID:

181849

PubChem CID:

76803233

Reduced:

FSiN3O7C55H66 (1)

Stoich.:

ABC3D7E55F66 (1)

Weight, g/mol:

812.350436

ΔHf, kcal/mol:

-228.97

Dipole, Da:

4.19

IP(EA), eV:

 -8.77(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[tert-butyl(dimethyl)silyl]oxy-18-(1,3-dihydroxypropan-2-yl)-4-(dimethylamino)-19-fluoro-14-hydroxy-17-methyl-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C2CC3CC4C(C5=C(C(=O)C4(C(=O)C3=C(C2=C1OCC6=CC=CC=C6)O)O[Si](C)(C)C(C)(C)C)C(=NO5)OCC7=CC=CC=C7)N(C)C)F)CN(CCC8=CC=CC=C8)CC(C)C

DOS

IR

Vibrations