Geometry & MOs

Info

ID:	262839
PubChem CID:	103322000
Reduced:	ClOSN4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	418.91562
ΔH_f, kcal/mol:	6.19
Dipole, Da:	5.93
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-fluoro-2-iodophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)CC1CC(CN1C2=C3C=CSC3=NC(=N2)Cl)O

DOS

IR

Vibrations