Geometry & MOs

Info

ID:	69390
PubChem CID:	46530919
Reduced:	F3O3N6H17C20 (1)
Stoich.:	A3B3C6D17E20 (1)
Weight, g/mol:	391.081305
ΔH_f, kcal/mol:	-151.47
Dipole, Da:	7.27
IP(EA), eV:	-8.24(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-methylsulfanyl-N-naphthalen-1-yl-2-thiophen-2-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)N4CCCC4=O)C(F)(F)F

DOS

IR

Vibrations