Geometry & MOs

Info

ID:	87355
PubChem CID:	49894273
Reduced:	NSO4C30H31 (1)
Stoich.:	ABC4D30E31 (1)
Weight, g/mol:	474.02489
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	2.57
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCCOC4=CC=C(C=C4)C(C)(C)C)/SC2=O

DOS

IR

Vibrations