Geometry & MOs

Info

ID:	64066
PubChem CID:	29195980
Reduced:	FSN3O3C23H32 (1)
Stoich.:	ABC3D3E23F32 (1)
Weight, g/mol:	482.097953
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	6.82
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations