Geometry & MOs

Info

ID:	402055
PubChem CID:	135054087
Reduced:	PC7O9H15 (1)
Stoich.:	AB7C9D15 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-467.13
Dipole, Da:	3.05
IP(EA), eV:	-10.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methoxy(methyl)amino] (3R,4R)-3,4-dihydroxy-4-phenylbutanoate

Drug info:

PubChemData

Smile

COC[C@H](C(C(C(=O)COP(=O)(O)O)O)O)O

DOS

IR

Vibrations