Geometry & MOs

Info

ID:	188150
PubChem CID:	77673873
Reduced:	ClON3C22H32 (1)
Stoich.:	ABC3D22E32 (1)
Weight, g/mol:	437.130837
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	3.71
IP(EA), eV:	-9.19(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]sulfonyl-2,6-dimethylmorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1C(CN)O)C3C(N2)CC(C4C3CNC4)C5=CC=CC=C5Cl

DOS

IR

Vibrations