Geometry & MOs

Info

ID:	49795
PubChem CID:	11533836
Reduced:	SO4N5H27C28 (1)
Stoich.:	AB4C5D27E28 (1)
Weight, g/mol:	529.224657
ΔH_f, kcal/mol:	-40.56
Dipole, Da:	6.83
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-(2,5-diethoxy-4-morpholin-4-ylanilino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C3=CN=C4NC5=CC(=CC=C5)S(=O)(=O)NCCCNC3=N4

DOS

IR

Vibrations