Geometry & MOs

Info

ID:

167389

PubChem CID:

74818988

Reduced:

SN9O13C49H73 (1)

Stoich.:

AB9C13D49E73 (1)

Weight, g/mol:

803.567635

ΔHf, kcal/mol:

-603.12

Dipole, Da:

9.79

IP(EA), eV:

 -9.39(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[hydroxy-(3-octadecanoyloxy-2-octadec-9-enoyloxypropoxy)phosphoryl]oxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)N

DOS

IR

Vibrations