Geometry & MOs

Info

ID:	404226
PubChem CID:	135065500
Reduced:	OSiN3C28H29 (1)
Stoich.:	ABC3D28E29 (1)
Weight, g/mol:	342.091278
ΔH_f, kcal/mol:	86.21
Dipole, Da:	2.62
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,7,7-tetrafluoroheptyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C=C(N2N=CC(=N2)C3=CC=C(C=C3)OC)[Si](C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations