Geometry & MOs

Info

ID:	159963
PubChem CID:	57304196
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	383.017659
ΔH_f, kcal/mol:	-103.92
Dipole, Da:	4.24
IP(EA), eV:	-8.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]benzenesulfinate

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)[C@@H]2CCCC[C@@H]2C(=N1)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations