Geometry & MOs

Info

ID:	380712
PubChem CID:	134971240
Reduced:	NS2O5C26H43 (1)
Stoich.:	AB2C5D26E43 (1)
Weight, g/mol:	343.235873
ΔH_f, kcal/mol:	-243.14
Dipole, Da:	4.56
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-10-oxohexadec-6-enoate

Drug info:

PubChemData

Smile

CCCCCCC1(SCCS1)CC/C=C/CCC(=O)[C@@]2(CO[C@H](N2C=O)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations