Geometry & MOs

Info

ID:	147656
PubChem CID:	53787313
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	654.518303
ΔH_f, kcal/mol:	-62.6
Dipole, Da:	3.6
IP(EA), eV:	-9.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC=CC(=O)NCCC(C)C

DOS

IR

Vibrations