Geometry & MOs

Info

ID:	166146
PubChem CID:	74642698
Reduced:	F2N2O2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	4.68
IP(EA), eV:	-8.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations