Geometry & MOs

Info

ID:	219720
PubChem CID:	85164673
Reduced:	SN2O6C32H32 (1)
Stoich.:	AB2C6D32E32 (1)
Weight, g/mol:	572.22326
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	3.25
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-tris(phenylmethoxy)hex-5-enyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C1=C2C3(CC[N+]4(C3CC1C(=O)C4)CC5=CC=CC=C5)C6=CC=CC=C6N2

DOS

IR

Vibrations