Geometry & MOs

Info

ID:	47736
PubChem CID:	10534988
Reduced:	N3C9H11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	161.05105
ΔH_f, kcal/mol:	60.78
Dipole, Da:	5.02
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S)-1-hydroxyethyl]thiomorpholin-3-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C)N=N1

DOS

IR

Vibrations