Geometry & MOs

Info

ID:	16874
PubChem CID:	478108
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	2.23
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yloxy-6-(3,5-dimethylphenyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)OC1=NC(=CC(=N1)SC2=CC(=CC(=C2)C)C)N

DOS

IR

Vibrations