Geometry & MOs

Info

ID:	64135
PubChem CID:	29196306
Reduced:	BrSO2N3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	493.04596
ΔH_f, kcal/mol:	20.8
Dipole, Da:	5.32
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[(5R)-3-cyclopropyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1N2C(=O)[C@@H](SC2=NC3=CC=CC4=CC=CC=C43)CC(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations