Geometry & MOs

Info

ID:	399783
PubChem CID:	135042657
Reduced:	NO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	269.063626
ΔH_f, kcal/mol:	-230.95
Dipole, Da:	4.12
IP(EA), eV:	-9.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-phenyl-3-phenylsulfanylprop-2-enoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@](C1=O)(CC(F)(F)F)CO

DOS

IR

Vibrations