Geometry & MOs

Info

ID:	240767
PubChem CID:	93617412
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	4.52
IP(EA), eV:	-8.95(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-methoxyphenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations