Geometry & MOs

Info

ID:	328524
PubChem CID:	126724172
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-179.26
Dipole, Da:	1.23
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[4-(4-methoxyphenyl)butanoylamino]-2-methyl-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)[C@H]3[C@H](O3)C(=O)O)C(=O)O

DOS

IR

Vibrations