Geometry & MOs

Info

ID:	87792
PubChem CID:	49897407
Reduced:	SN2O5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	489.099457
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	9.72
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations