Geometry & MOs

Info

ID:	157894
PubChem CID:	56458804
Reduced:	S2N3O3C25H27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	419.166748
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	6.07
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-(2,6-dimethylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)N3CSCC3C(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations