Geometry & MOs

Info

ID:	392013
PubChem CID:	135011940
Reduced:	NPO5C16H24 (1)
Stoich.:	ABC5D16E24 (1)
Weight, g/mol:	447.078585
ΔH_f, kcal/mol:	-225.04
Dipole, Da:	6.3
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-(N-benzyl-S-phenylsulfonimidoyl)-3-methylbut-1-en-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)ON=C(CCC=C)C1=CC=C(C=C1)OC

DOS

IR

Vibrations