Geometry & MOs

Info

ID:	17319
PubChem CID:	492865
Reduced:	ClOSN4H11C14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	318.03421
ΔH_f, kcal/mol:	77.99
Dipole, Da:	3.51
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC(=CC(=N3)Cl)N

DOS

IR

Vibrations