Geometry & MOs

Info

ID:	68726
PubChem CID:	46508990
Reduced:	SCl2N4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	329.040502
ΔH_f, kcal/mol:	69.13
Dipole, Da:	2.51
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1C(C1(Cl)Cl)CSC2=NC=C(C(=N2)N)C#N

DOS

IR

Vibrations