Geometry & MOs

Info

ID:	219707
PubChem CID:	85164617
Reduced:	F3N5O7C24H40 (1)
Stoich.:	A3B5C7D24E40 (1)
Weight, g/mol:	567.325476
ΔH_f, kcal/mol:	-451.45
Dipole, Da:	29.75
IP(EA), eV:	-8.83(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2,3-dihydroxypropoxymethyl)-5-methoxy-2-octoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCN(CCC)C(=O)C1C(C(C=C(O1)C(=O)O)N=C([NH3+])N)NC(=O)C.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations