Geometry & MOs

Info

ID:	132891
PubChem CID:	51440916
Reduced:	NSO2F3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	289.027249
ΔH_f, kcal/mol:	-193.82
Dipole, Da:	5.68
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dichlorophenyl)-2-morpholin-4-ium-4-ylacetate

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations