Geometry & MOs

Info

ID:	11926
PubChem CID:	123605
Reduced:	NO7C26H37 (1)
Stoich.:	AB7C26D37 (1)
Weight, g/mol:	475.257003
ΔH_f, kcal/mol:	-295.09
Dipole, Da:	3.16
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxybutanedioic acid;2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)[C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations