Geometry & MOs

Info

ID:	192019
PubChem CID:	78214590
Reduced:	ClSN3O3C16H22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-123.07
Dipole, Da:	5.09
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-propyl-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations