Geometry & MOs

Info

ID:	87320
PubChem CID:	49893988
Reduced:	SCl2N2O2H20C27 (1)
Stoich.:	AB2C2D2E20F27 (1)
Weight, g/mol:	552.03546
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	6.37
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-[(4-bromophenyl)methoxy]-4-methoxyphenyl]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=CN(C4=CC=CC=C43)CC5=C(C=C(C=C5)Cl)Cl)/SC2=O

DOS

IR

Vibrations