Geometry & MOs

Info

ID:	146649
PubChem CID:	53724175
Reduced:	N2O3C33H52 (1)
Stoich.:	A2B3C33D52 (1)
Weight, g/mol:	364.100561
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	5.06
IP(EA), eV:	-8.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-4-acetyloxy-1,2-dihydroxy-6-oxo-5-(2-oxopropanoyloxy)hexan-3-yl] 2-hydroxypropanoate

Drug info:

PubChemData

Smile

CCCCCCCCN1C2=C(C=CC(=C2)N)C(=C(C1=O)OCC(C)CCC)OCC=C(C)CCC=C(C)C

DOS

IR

Vibrations