Geometry & MOs

Info

ID:	56070
PubChem CID:	17404174
Reduced:	FOSN4C18H23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	3.44
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylphenoxy)ethoxy]-6-methylsulfonylbenzotriazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3F

DOS

IR

Vibrations