Geometry & MOs

Info

ID:	136040
PubChem CID:	51969911
Reduced:	N3O3S3C19H21 (1)
Stoich.:	A3B3C3D19E21 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	3.48
IP(EA), eV:	-8.49(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-4-[2-(2-chlorophenoxy)ethyl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)N[C@@H]2C3=CC=CS3)C

DOS

IR

Vibrations