Geometry & MOs

Info

ID:	88218
PubChem CID:	49902346
Reduced:	BrNO2S2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	505.01947
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	3.92
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations