Geometry & MOs

Info

ID:	88503
PubChem CID:	49903920
Reduced:	BrSN2O6H19C22 (1)
Stoich.:	ABC2D6E19F22 (1)
Weight, g/mol:	607.91143
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	7.26
IP(EA), eV:	-9.01(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OCC=C

DOS

IR

Vibrations