Geometry & MOs

Info

ID:	162774
PubChem CID:	57569501
Reduced:	OSF3N7H16C21 (1)
Stoich.:	ABC3D7E16F21 (1)
Weight, g/mol:	487.188049
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	7.11
IP(EA), eV:	-8.67(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(3Z)-3-(2-tert-butylpurin-8-ylidene)-1,2-oxazol-5-yl]ethyl]-6-(2-fluoropyridin-3-yl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CN=C(S1)NC2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=NC=NC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations