Geometry & MOs

Info

ID:	299112
PubChem CID:	117671448
Reduced:	N2H54C59 (1)
Stoich.:	A2B54C59 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	151.56
Dipole, Da:	1.34
IP(EA), eV:	-7.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-hydroxy-5-phenyl-2-(2-phenylethyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N(C3=CC=C(C=C3)C(C)(C)C)C4=CC5=CC=CC=C5C=C4)C6=C1C=C(C7=CC=CC=C76)N(C8=CC=C(C=C8)C(C)(C)C)C9=CC1=CC=CC=C1C=C9)C

DOS

IR

Vibrations