Geometry & MOs

Info

ID:	88034
PubChem CID:	49900063
Reduced:	NSCl2I2O3H15C24 (1)
Stoich.:	ABC2D2E3F15G24 (1)
Weight, g/mol:	592.99663
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	0.77
IP(EA), eV:	-9.35(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2I)I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations