Geometry & MOs

Info

ID:	132097
PubChem CID:	51305446
Reduced:	FSO2N4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	6.31
IP(EA), eV:	-8.93(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzylpyrrolidin-3-yl)-3-(2-cyanophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CN=C2N(C1=O)C=CS2)C3=CC(=CC=C3)F

DOS

IR

Vibrations