Geometry & MOs

Info

ID:	64132
PubChem CID:	29196292
Reduced:	SN3O3H23C26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	443.166748
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	5.91
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-3-cyclopropyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C5CC5

DOS

IR

Vibrations