Geometry & MOs

Info

ID:	24827
PubChem CID:	613849
Reduced:	OSN5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	251.084081
ΔH_f, kcal/mol:	21.35
Dipole, Da:	5.92
IP(EA), eV:	-9.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-4-oxo-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-6-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)N2C(CSC2=N1)C#N

DOS

IR

Vibrations