Geometry & MOs

Info

ID:	47299
PubChem CID:	10531326
Reduced:	NOH12C13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	581.53831
ΔH_f, kcal/mol:	19.19
Dipole, Da:	1.18
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-hydroxy-2-(octadecanoylamino)hexadecyl] acetate

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)C2=CC(=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations