Geometry & MOs

Info

ID:	154109
PubChem CID:	56313498
Reduced:	S2N3O4C23H31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	5.41
IP(EA), eV:	-8.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C(=O)NC(C)C(C)C

DOS

IR

Vibrations