Geometry & MOs

Info

ID:	64134
PubChem CID:	29196304
Reduced:	SN4O5H22C25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	493.04596
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	5.43
IP(EA), eV:	-8.52(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C5CC5)[N+](=O)[O-]

DOS

IR

Vibrations