Geometry & MOs

Info

ID:	87735
PubChem CID:	49896901
Reduced:	BrSN3O6H24C25 (1)
Stoich.:	ABC3D6E24F25 (1)
Weight, g/mol:	478.075406
ΔH_f, kcal/mol:	-180.3
Dipole, Da:	5.36
IP(EA), eV:	-9.2(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4

DOS

IR

Vibrations