Geometry & MOs

Info

ID:	151198
PubChem CID:	53790898
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	520.408752
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	3.53
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-(3-pentadecoxypropylamino)propyl]hexanamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC2=CC=CC=C2N1C(=N)OC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations