Geometry & MOs

Info

ID:	192972
PubChem CID:	78330267
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	306.181767
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	5.08
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C(C1C(NC(=O)NC1=O)O)C2=CC=CS2

DOS

IR

Vibrations