Geometry & MOs

Info

ID:	192971
PubChem CID:	78330266
Reduced:	SN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	7.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.951161
Charge, e:	0

Chem-info

IUPAC name:

5-[diethylamino(thiophen-2-yl)methyl]-6-hydroxy-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC[NH+](CC)C(C1C(NC(=O)NC1=O)O)C2=CC=CS2

DOS

IR

Vibrations