Geometry & MOs

Info

ID:	80589
PubChem CID:	49835324
Reduced:	SF3N4O4C22H23 (1)
Stoich.:	AB3C4D4E22F23 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	-211.77
Dipole, Da:	9.11
IP(EA), eV:	-9.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(8-chloroquinolin-6-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(C=C2)S(=O)(=O)[C@H]3C[C@@H]([C@H](C3)OC)C(=O)NC4(CC4)C#N)C(F)(F)F

DOS

IR

Vibrations