Geometry & MOs

Info

ID:	338792
PubChem CID:	127259803
Reduced:	ClNSO3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	4.69
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-1-phenyl-2-thiomorpholin-4-ylethyl) 2-phenylacetate

Drug info:

PubChemData

Smile

C1CSCCN1CC(C2=CC=CC=C2)(O)OC(=O)CC3=CC=CC=C3.Cl

DOS

IR

Vibrations