Geometry & MOs

Info

ID:	441230
PubChem CID:	135233734
Reduced:	N2O5C35H46 (1)
Stoich.:	A2B5C35D46 (1)
Weight, g/mol:	559.228697
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	3.82
IP(EA), eV:	-8.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-3-methyl-5-[1-(4-morpholin-4-ylsulfanylphenyl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CCCN\1C2=CC=CC=C2C(/C1=C\C=C\C3(C(C4=CC=CC=C4N3CCCC(=O)OCC)(C)C)O)(C)C

DOS

IR

Vibrations