Geometry & MOs

Info

ID:	407808
PubChem CID:	135080563
Reduced:	FSCl2O2N3H6C10 (1)
Stoich.:	ABC2D2E3F6G10 (1)
Weight, g/mol:	221.048821
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	6.72
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-3-(4-fluorophenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)S(=O)(=O)NC2=C(C=C(C=C2Cl)F)Cl

DOS

IR

Vibrations