Geometry & MOs

Info

ID:	362098
PubChem CID:	127305780
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	3.75
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations