Geometry & MOs

Info

ID:	403268
PubChem CID:	135059455
Reduced:	NPO9C14H18 (1)
Stoich.:	ABC9D14E18 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-407.76
Dipole, Da:	2.28
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-acetamidononanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations