Geometry & MOs

Info

ID:	276800
PubChem CID:	103825289
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	303.080826
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	6.7
IP(EA), eV:	-10.09(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylsulfanylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=C(C=C1)N2C=NN=N2

DOS

IR

Vibrations