Geometry & MOs

Info

ID:	51621
PubChem CID:	12014322
Reduced:	SSiO3C37H38 (1)
Stoich.:	ABC3D37E38 (1)
Weight, g/mol:	386.134051
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	6.84
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,8S,10S,11R)-5,5-diphenyl-6-thiatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-3,9-dione

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H]([C@H](C1=CC=CC=C1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations