Geometry & MOs

Info

ID:	194196
PubChem CID:	78497033
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.85
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NCC2=CC=CO2

DOS

IR

Vibrations