Geometry & MOs

Info

ID:	211020
PubChem CID:	80883968
Reduced:	BrSF2N3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	203.052861
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	2.72
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)SC2=C(C=CC(=C2)F)F)Br

DOS

IR

Vibrations