Geometry & MOs

Info

ID:	402069
PubChem CID:	135054146
Reduced:	ClFN3O4H11C18 (1)
Stoich.:	ABC3D4E11F18 (1)
Weight, g/mol:	387.042212
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	5.25
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3S)-2-(2-chlorophenyl)-1-cyano-3-nitrocyclopropanecarbonyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=O)[C@]2([C@H]([C@@H]2[N+](=O)[O-])C3=CC(=CC=C3)Cl)C#N)F

DOS

IR

Vibrations