Geometry & MOs

Info

ID:	22513
PubChem CID:	597401
Reduced:	SO3C27H32 (1)
Stoich.:	AB3C27D32 (1)
Weight, g/mol:	436.207216
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	4.81
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-diphenyloctyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations