Geometry & MOs

Info

ID:	338337
PubChem CID:	127259029
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	368.202131
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	2.4
IP(EA), eV:	-9.05(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(benzenesulfonyl)dodecyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(COC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations