Geometry & MOs

Info

ID:	403826
PubChem CID:	135062064
Reduced:	FNO2S2H26C28 (1)
Stoich.:	ABC2D2E26F28 (1)
Weight, g/mol:	205.030584
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	7.21
IP(EA), eV:	-8.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-(chloromethyl)-1-cyano-2-fluorocyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2[C@@H]([C@H](C3=CC=CC=C3)NS(=O)C4=CC=C(C=C4)C)F

DOS

IR

Vibrations