Geometry & MOs

Info

ID:	440873
PubChem CID:	135231947
Reduced:	ON5C15H29 (1)
Stoich.:	AB5C15D29 (1)
Weight, g/mol:	650.40165
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	3.36
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[4-[[2-[[5-[3-[3-(cyclohexylamino)propylamino]propyl]-1,2,4-oxadiazol-3-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCC2=NC(=NO2)CN

DOS

IR

Vibrations