Geometry & MOs

Info

ID:	64113
PubChem CID:	29196199
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	5.24
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-3-(3-methoxypropyl)-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CCCOC

DOS

IR

Vibrations