Geometry & MOs

Info

ID:	313869
PubChem CID:	126618251
Reduced:	FSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	312.951324
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-4-(1-methylsulfonylazetidin-3-yl)sulfanylpyrimidine

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC2=C(N=C1)N(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations