Geometry & MOs

Info

ID:	186830
PubChem CID:	77490963
Reduced:	FN2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	411.209282
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	3.38
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2-phenylimidazol-1-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1C2C(=O)OC(N2C(CN1)C(=O)C=CC3=CC=C(C=C3)F)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations