Geometry & MOs

Info

ID:	87526
PubChem CID:	49895221
Reduced:	NSO5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	600.00244
ΔH_f, kcal/mol:	-143.84
Dipole, Da:	5.67
IP(EA), eV:	-9.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)OC)/SC2=O

DOS

IR

Vibrations