Geometry & MOs

Info

ID:	86615
PubChem CID:	49887637
Reduced:	ClSN2O5H25C28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	479.95462
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	0.85
IP(EA), eV:	-8.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC)C

DOS

IR

Vibrations