Geometry & MOs

Info

ID:	402068
PubChem CID:	135054145
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	387.042212
ΔH_f, kcal/mol:	5.18
Dipole, Da:	3.72
IP(EA), eV:	-9.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations