Geometry & MOs

Info

ID:	47097
PubChem CID:	10529545
Reduced:	BrSiN2O3C24H33 (1)
Stoich.:	ABC2D3E24F33 (1)
Weight, g/mol:	505.315186
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

27-ethoxy-4,7,10-trioxa-1,13,31-triazatricyclo[11.10.7.125,29]hentriaconta-25,27,29(31)-triene-14,23-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]([C@H]1C[C@@H]2CCN1[C@H](C2=O)Br)C3=C4C=C(C=CC4=NC=C3)OC

DOS

IR

Vibrations