Geometry & MOs

Info

ID:	340556
PubChem CID:	127262567
Reduced:	INOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	187.046713
ΔH_f, kcal/mol:	6.41
Dipole, Da:	3.36
IP(EA), eV:	-9.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[[(1R,2R)-1-(cyanomethyl)-2-fluorocyclopropyl]methyl] ethanethioate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@@H]2I

DOS

IR

Vibrations