Geometry & MOs

Info

ID:	87666
PubChem CID:	49896406
Reduced:	ClSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	556.99663
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	2.4
IP(EA), eV:	-9.08(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations