Geometry & MOs

Info

ID:	226110
PubChem CID:	87325756
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	387.999522
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	0.92
IP(EA), eV:	-7.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-2-formyl-5-(oxan-2-yloxy)phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=CS(=C2N1C=CC=C2)C(C3=CC=CC=N3)C(=O)N

DOS

IR

Vibrations