Geometry & MOs

Info

ID:	62105
PubChem CID:	26717592
Reduced:	FSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	325.009491
ΔH_f, kcal/mol:	-198.76
Dipole, Da:	3.77
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC[C@@H]1C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations