Geometry & MOs

Info

ID:	438807
PubChem CID:	135228564
Reduced:	FN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	4.4
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-tri(propan-2-yl)thiomorpholine

Drug info:

PubChemData

Smile

C1CC(CCC1C(CC2C3=C(C=CC[C@H]3F)C4=CN=CN24)O)O

DOS

IR

Vibrations