Geometry & MOs

Info

ID:	262855
PubChem CID:	103323138
Reduced:	ClFSN4H8C12 (1)
Stoich.:	ABCD4E8F12 (1)
Weight, g/mol:	362.02008
ΔH_f, kcal/mol:	28.72
Dipole, Da:	0.76
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)NC2=C3C=CSC3=NC(=N2)N

DOS

IR

Vibrations