Geometry & MOs

Info

ID:	290082
PubChem CID:	104407521
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	259.099063
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	2.85
IP(EA), eV:	-9.33(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CCC(C)(C#N)C(=O)NC(C)C(=O)N1CCCC1

DOS

IR

Vibrations