Geometry & MOs

Info

ID:	59626
PubChem CID:	24890597
Reduced:	FSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	362.196743
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	1.9
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-cyclopentyl-4-ethyl-N-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

Drug info:

PubChemData

Smile

COCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C34CC5CC(C3)CC4C5

DOS

IR

Vibrations