Geometry & MOs

Info

ID:	370448
PubChem CID:	127338891
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	241.059506
ΔH_f, kcal/mol:	-112.65
Dipole, Da:	3.78
IP(EA), eV:	-8.79(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylthiomorpholin-4-yl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)CC2CCOCC2

DOS

IR

Vibrations