Geometry & MOs

Info

ID:	154322
PubChem CID:	56313738
Reduced:	FS2N3O4H16C19 (1)
Stoich.:	AB2C3D4E16F19 (1)
Weight, g/mol:	466.150427
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	5.93
IP(EA), eV:	-9.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC=C(S3)S(=O)(=O)N)F

DOS

IR

Vibrations