Geometry & MOs

Info

ID:	88246
PubChem CID:	49902580
Reduced:	BrNSO4H18C28 (1)
Stoich.:	ABCD4E18F28 (1)
Weight, g/mol:	692.93177
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	1.05
IP(EA), eV:	-9.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations