Geometry & MOs

Info

ID:	356260
PubChem CID:	127291333
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	3.72
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-(quinolin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCC3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations