Geometry & MOs

Info

ID:	88291
PubChem CID:	49902787
Reduced:	BrN2S2O6H19C25 (1)
Stoich.:	AB2C2D6E19F25 (1)
Weight, g/mol:	558.97589
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	12.42
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations