Geometry & MOs

Info

ID:	64127
PubChem CID:	29196280
Reduced:	FON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	429.151098
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	2.34
IP(EA), eV:	-9.32(-0.67)
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-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations