Geometry & MOs

Info

ID:	172684
PubChem CID:	75541263
Reduced:	SO2N4C30H30 (1)
Stoich.:	AB2C4D30E30 (1)
Weight, g/mol:	544.97148
ΔH_f, kcal/mol:	59.63
Dipole, Da:	11.47
IP(EA), eV:	-8.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[5-bromo-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=C2C(=NC(=O)S2)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations