Geometry & MOs

Info

ID:	86971
PubChem CID:	49890290
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	513.91402
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	9.58
IP(EA), eV:	-8.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations