Geometry & MOs

Info

ID:	402166
PubChem CID:	135054705
Reduced:	BrSiO3C28H39 (1)
Stoich.:	ABC3D28E39 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	2.66
IP(EA), eV:	-8.93(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol

Drug info:

PubChemData

Smile

C[C@@H](/C=C(/C1=CC=CC=C1)\O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C2=CC=C(C=C2)Br)C(=O)OC

DOS

IR

Vibrations