Geometry & MOs

Info

ID:	87742
PubChem CID:	49896952
Reduced:	BrSN2O6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	413.068156
ΔH_f, kcal/mol:	-191.77
Dipole, Da:	5.02
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Br)OC

DOS

IR

Vibrations