Geometry & MOs

Info

ID:	211032
PubChem CID:	80886348
Reduced:	SO3N4C11H18 (1)
Stoich.:	AB3C4D11E18 (1)
Weight, g/mol:	285.125946
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	1.45
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SCCC(=O)OC)OCC

DOS

IR

Vibrations