Geometry & MOs

Info

ID:	171394
PubChem CID:	75371775
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	349.126026
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	3.63
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCC(=O)NC2=C(C=C3C(=C2)SC(=N3)C)OC)C

DOS

IR

Vibrations