Geometry & MOs

Info

ID:	87781
PubChem CID:	49897282
Reduced:	BrSN2O6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	550.079449
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	8.31
IP(EA), eV:	-8.86(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC

DOS

IR

Vibrations