Geometry & MOs

Info

ID:	289308
PubChem CID:	104344840
Reduced:	OSF2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	367.0354
ΔH_f, kcal/mol:	-78.05
Dipole, Da:	3.03
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)SC2=C(C=C(C=C2)F)F)NC

DOS

IR

Vibrations