Geometry & MOs

Info

ID:	399975
PubChem CID:	135044278
Reduced:	ON2H18C24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	404.256684
ΔH_f, kcal/mol:	96.51
Dipole, Da:	4.76
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,7R)-2,2-ditert-butyl-5-methyl-7-phenyl-6,7-dihydro-3H-oxasilepin-6-yl]oxy-trimethylsilane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2([C@@H](C=CC2=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4

DOS

IR

Vibrations