Geometry & MOs

Info

ID:	79942
PubChem CID:	49831629
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	536.11331
ΔH_f, kcal/mol:	-274.99
Dipole, Da:	2.79
IP(EA), eV:	-9.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC[C@H](C[C@H]1OC(=O)C)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations