Geometry & MOs

Info

ID:	401025
PubChem CID:	135049809
Reduced:	PSSiF3N3O3C36H59 (1)
Stoich.:	ABCD3E3F3G36H59 (1)
Weight, g/mol:	330.128966
ΔH_f, kcal/mol:	-341.8
Dipole, Da:	20.07
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(E)-1-phenylmethoxypent-1-en-3-yl]sulfonylbenzene

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=C(NP1(N(C2CCCCC2)C3CCCCC3)(N(C4CCCCC4)C5CCCCC5)OS(=O)(=O)C(F)(F)F)C6=CC=CC=C6

DOS

IR

Vibrations