Geometry & MOs

Info

ID:	160414
PubChem CID:	57309762
Reduced:	NSCl2O7C19H19 (1)
Stoich.:	ABC2D7E19F19 (1)
Weight, g/mol:	325.116152
ΔH_f, kcal/mol:	-251.69
Dipole, Da:	6.54
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methoxyphenyl)methoxymethyl]morpholin-4-yl]oxy-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OCCO)SC1)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations