Geometry & MOs

Info

ID:	88425
PubChem CID:	49903430
Reduced:	BrNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	558.97589
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	3.25
IP(EA), eV:	-8.77(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br

DOS

IR

Vibrations