Geometry & MOs

Info

ID:	370447
PubChem CID:	127338890
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	243.1293
ΔH_f, kcal/mol:	-78.69
Dipole, Da:	3.57
IP(EA), eV:	-8.59(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylthiomorpholin-4-yl)-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)C2=C(OC(=C2)C)C

DOS

IR

Vibrations