Geometry & MOs

Info

ID:	139898
PubChem CID:	52614175
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	414.199308
ΔH_f, kcal/mol:	-98.01
Dipole, Da:	3.3
IP(EA), eV:	-9.3(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-N-[2-fluoro-5-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC(=CC=C2)COC)C

DOS

IR

Vibrations