Geometry & MOs

Info

ID:	262940
PubChem CID:	103330327
Reduced:	OSN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	310.128589
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	4.36
IP(EA), eV:	-8.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CCNC1=C2C=CSC2=NC(=N1)N)O

DOS

IR

Vibrations