Geometry & MOs

Info

ID:	87866
PubChem CID:	49898085
Reduced:	SCl2N2O4H22C27 (1)
Stoich.:	AB2C2D4E22F27 (1)
Weight, g/mol:	596.88738
ΔH_f, kcal/mol:	-103.32
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations