Geometry & MOs

Info

ID:	284336
PubChem CID:	104044596
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	2.71
IP(EA), eV:	-8.3(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethyloxan-4-yl) 2-thiomorpholin-3-ylacetate

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)CCNC2=CC=CC=C2C

DOS

IR

Vibrations