Geometry & MOs

Info

ID:	170027
PubChem CID:	75184752
Reduced:	SO3N5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	6.46
IP(EA), eV:	-8.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3,4,4a,6,7,8,8a-octahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CCNCC3)S(=O)(=O)C4CC4)C5=C6C=CNC6=CC=C5

DOS

IR

Vibrations