Geometry & MOs

Info

ID:	405512
PubChem CID:	135074295
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	354.09258
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	5.43
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylphenoxy)phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C3=NC=CC=N3)C(=O)OC

DOS

IR

Vibrations