Geometry & MOs

Info

ID:	380690
PubChem CID:	134971214
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-199.04
Dipole, Da:	3.21
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-[[(1R)-1-phenylethyl]amino]-4-phenylmethoxybutanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N[C@H]([C@@H](C)C(CO)O)[C@@H]([C@@H]2COC(O2)(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations