Geometry & MOs

Info

ID:	238800
PubChem CID:	93165525
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	3.72
IP(EA), eV:	-9.03(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[[(2S)-2-(3-ethylphenoxy)propanoyl]amino]-3-methylpentanoic 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