Geometry & MOs

Info

ID:	145247
PubChem CID:	53487611
Reduced:	ClOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	319.074199
ΔH_f, kcal/mol:	20.01
Dipole, Da:	3.92
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[S@@](=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations