Geometry & MOs

Info

ID:	413133
PubChem CID:	135086077
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	358.120063
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	4.05
IP(EA), eV:	-9.57(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1-bis(4-fluorophenyl)-3-trimethylsilylprop-2-ynyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations