Geometry & MOs

Info

ID:	211006
PubChem CID:	80883003
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	263.089247
ΔH_f, kcal/mol:	15.03
Dipole, Da:	3.28
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(4-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1SC2=NC(=O)C=C(N2)N)NCC

DOS

IR

Vibrations