Geometry & MOs

Info

ID:	80573
PubChem CID:	49835203
Reduced:	SF3N3O4H22C23 (1)
Stoich.:	AB3C3D4E22F23 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-218.43
Dipole, Da:	3.36
IP(EA), eV:	-10.13(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylindol-1-yl)-N-[(E)-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylideneamino]propanamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](C[C@H]1C(=O)NC2(CC2)C#N)S(=O)(=O)C3=C(C=C(C=C3)C4=CC=CC=N4)C(F)(F)F

DOS

IR

Vibrations