Geometry & MOs

Info

ID:	155777
PubChem CID:	56367524
Reduced:	FSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	472.122356
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	6.29
IP(EA), eV:	-9.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-2H-chromen-3-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)F)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations