Geometry & MOs

Info

ID:	171200
PubChem CID:	75343348
Reduced:	BrNSO5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	539.107244
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	2.89
IP(EA), eV:	-8.86(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[[3-[2-(3-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OC)SC2=O

DOS

IR

Vibrations