Geometry & MOs

Info

ID:	381054
PubChem CID:	134971681
Reduced:	NO3C7H15 (1)
Stoich.:	AB3C7D15 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	3.77
IP(EA), eV:	-9.79(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S,6S)-6-(hydroxymethyl)-3-methyl-4-[[(1R)-1-phenylethyl]amino]-5-phenylmethoxyoxan-2-one

Drug info:

PubChemData

Smile

CCC(C)[C@H]([C@@H](C(=O)O)O)N

DOS

IR

Vibrations