Geometry & MOs

Info

ID:	75698
PubChem CID:	48423866
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	2.02
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-thiomorpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCSCC2

DOS

IR

Vibrations