Geometry & MOs

Info

ID:	87434
PubChem CID:	49894600
Reduced:	ClSN3O3H18C24 (1)
Stoich.:	ABC3D3E18F24 (1)
Weight, g/mol:	616.95622
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	7.97
IP(EA), eV:	-9.0(-1.96)
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-bromophenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C/C(=N/NC4=CC=CC=C4Cl)/C=CC3=O)/SC2=O

DOS

IR

Vibrations