Geometry & MOs

Info

ID:	88223
PubChem CID:	49902417
Reduced:	NSBr3O4H12C18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	519.03512
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	6.94
IP(EA), eV:	-9.24(-1.12)
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-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)Br

DOS

IR

Vibrations