Geometry & MOs

Info

ID:	338881
PubChem CID:	127259892
Reduced:	O4H16C21 (1)
Stoich.:	A4B16C21 (1)
Weight, g/mol:	330.05375
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	3.64
IP(EA), eV:	-9.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-methyl-3-(trifluoromethyl)benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations