Geometry & MOs

Info

ID:	218836
PubChem CID:	85090047
Reduced:	ClSN7C27H30 (1)
Stoich.:	ABC7D27E30 (1)
Weight, g/mol:	521.05077
ΔH_f, kcal/mol:	165.13
Dipole, Da:	9.31
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methylphenyl)-2-(4,9-dimethoxy-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-6-yl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)SCC5=CC=CC=C5Cl

DOS

IR

Vibrations