Geometry & MOs

Info

ID:	64107
PubChem CID:	29196176
Reduced:	BrSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	484.136925
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	5.76
IP(EA), eV:	-9.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[(5R)-2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations