Geometry & MOs

Info

ID:	154736
PubChem CID:	56314251
Reduced:	S2O3N5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	441.206385
ΔH_f, kcal/mol:	-2.42
Dipole, Da:	2.67
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCN(CC3)C4=C(C=CC=N4)C#N

DOS

IR

Vibrations