Geometry & MOs

Info

ID:	45728
PubChem CID:	10517080
Reduced:	SO3N5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	284.057276
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	4.59
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyrimidine

Drug info:

PubChemData

Smile

CSC1=NC(=O)C=CN1[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

DOS

IR

Vibrations