Geometry & MOs

Info

ID:	263020
PubChem CID:	103334084
Reduced:	F2S2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	303.061238
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	2.39
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC2=C(C=CS2)C(=N1)SC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations