Geometry & MOs

Info

ID:	384516
PubChem CID:	134977139
Reduced:	NSH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	760.301296
ΔH_f, kcal/mol:	87.59
Dipole, Da:	5.64
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CC3)C#N)SC

DOS

IR

Vibrations