Geometry & MOs

Info

ID:	79948
PubChem CID:	49831693
Reduced:	NO9H23C24 (1)
Stoich.:	AB9C23D24 (1)
Weight, g/mol:	502.229014
ΔH_f, kcal/mol:	-333.84
Dipole, Da:	5.99
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-2-[5-ethoxy-2-(2-methoxyphenyl)-1H-indol-3-yl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)CC2=NC3=C(C=C2)C(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations