Geometry & MOs

Info

ID:	171060
PubChem CID:	75318900
Reduced:	BrSCl2N2O4H17C25 (1)
Stoich.:	ABC2D2E4F17G25 (1)
Weight, g/mol:	544.076279
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	2.58
IP(EA), eV:	-9.08(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)Br)SC2=O)Cl

DOS

IR

Vibrations