Geometry & MOs

Info

ID:	238801
PubChem CID:	93165526
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-183.95
Dipole, Da:	6.61
IP(EA), eV:	-9.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-2-[[(2R)-3-methyl-2-phenoxybutanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)O[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O

DOS

IR

Vibrations