Geometry & MOs

Info

ID:	262875
PubChem CID:	103325368
Reduced:	OSN2C6H9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	5.6
IP(EA), eV:	-8.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)NCCS(=O)(=O)C

DOS

IR

Vibrations