Geometry & MOs

Info

ID:	160260
PubChem CID:	57309606
Reduced:	O2N7C27H33 (1)
Stoich.:	A2B7C27D33 (1)
Weight, g/mol:	504.366219
ΔH_f, kcal/mol:	16.55
Dipole, Da:	9.15
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[(2R,3R,4S)-3-(2,3-dihydroxypropoxy)-4-hydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(COC(=O)N)C2=CC=CC=C2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

DOS

IR

Vibrations