Geometry & MOs

Info

ID:	87813
PubChem CID:	49897669
Reduced:	SN3O7H21C26 (1)
Stoich.:	AB3C7D21E26 (1)
Weight, g/mol:	456.034684
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	5.6
IP(EA), eV:	-8.87(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]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)NC3=CC=CC=C3)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations