Geometry & MOs

Info

ID:	355698
PubChem CID:	127289679
Reduced:	S2N3O5C14H17 (1)
Stoich.:	A2B3C5D14E17 (1)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	4.69
IP(EA), eV:	-9.56(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylsulfanylpropanoyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=CS2)C(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations