Geometry & MOs

Info

ID:	262860
PubChem CID:	103323591
Reduced:	SN5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	302.100146
ΔH_f, kcal/mol:	109.24
Dipole, Da:	5.09
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=CSC2=N1)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations