Geometry & MOs

Info

ID:	262874
PubChem CID:	103325323
Reduced:	SN5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	314.087118
ΔH_f, kcal/mol:	85.25
Dipole, Da:	3.21
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-6-methyl-4-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCNC2=C3C=CSC3=NC(=N2)N

DOS

IR

Vibrations