Geometry & MOs

Info

ID:	309622
PubChem CID:	126551057
Reduced:	ClO2S2N5C16H18 (1)
Stoich.:	AB2C2D5E16F18 (1)
Weight, g/mol:	399.089831
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	9.62
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-ethyl-4-(5-fluoropyridin-3-yl)oxy-2-(5-methylpyridin-3-yl)oxy-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1)N=C(N=C2NC[C@H](C)O)SC3=NC(=CS3)C(=O)C)Cl

DOS

IR

Vibrations