Geometry & MOs

Info

ID:	59858
PubChem CID:	24900390
Reduced:	N7O9C28H41 (1)
Stoich.:	A7B9C28D41 (1)
Weight, g/mol:	589.50701
ΔH_f, kcal/mol:	-402.51
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-3-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]propyl] hexadecanoate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)O

DOS

IR

Vibrations