Geometry & MOs

Info

ID:	88471
PubChem CID:	49903642
Reduced:	BrSN2O6H15C19 (1)
Stoich.:	ABC2D6E15F19 (1)
Weight, g/mol:	522.02489
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	8.22
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OC

DOS

IR

Vibrations