Geometry & MOs

Info

ID:	86729
PubChem CID:	49888730
Reduced:	NSCl2O4H23C28 (1)
Stoich.:	ABC2D4E23F28 (1)
Weight, g/mol:	478.075406
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	5.13
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations