Geometry & MOs

Info

ID:	131359
PubChem CID:	51195177
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	388.087512
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	2.76
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylcarbamoyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations