Geometry & MOs

Info

ID:	139853
PubChem CID:	52608640
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	272.209993
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	7.55
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-ethoxypropanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=NC(=CS2)CC(=O)NCC3=CC=CC=C3COC4=CC=CC=C4

DOS

IR

Vibrations