Geometry & MOs

Info

ID:	210168
PubChem CID:	80769195
Reduced:	O2F3N4H9C12 (1)
Stoich.:	A2B3C4D9E12 (1)
Weight, g/mol:	312.049253
ΔH_f, kcal/mol:	-151.49
Dipole, Da:	3.25
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)F

DOS

IR

Vibrations