Geometry & MOs

Info

ID:	135857
PubChem CID:	51950712
Reduced:	NF2O2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	337.02879
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	4.28
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)(F)F

DOS

IR

Vibrations