Geometry & MOs

Info

ID:	263018
PubChem CID:	103333818
Reduced:	S2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	267.08639
ΔH_f, kcal/mol:	45.52
Dipole, Da:	5.97
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-4-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NN)NCC(C)CSC

DOS

IR

Vibrations