Geometry & MOs

Info

ID:	87733
PubChem CID:	49896884
Reduced:	BrSN2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	569.056272
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations