Geometry & MOs

Info

ID:	68463
PubChem CID:	46508462
Reduced:	FSN2O4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	434.146427
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	3.89
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=C(S4)C5=CC=C(C=C5)F

DOS

IR

Vibrations