Geometry & MOs

Info

ID:	362158
PubChem CID:	127305847
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	5.09
IP(EA), eV:	-9.45(-1.23)
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]butan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations