Geometry & MOs

Info

ID:	44706
PubChem CID:	10505463
Reduced:	N3O6H23C28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	10.25
IP(EA), eV:	-8.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]-1,2-dimethylindole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NN/C(=C\4/C=CC5=CC=CC=C5C4=O)/O3

DOS

IR

Vibrations