Geometry & MOs

Info

ID:	177076
PubChem CID:	76132543
Reduced:	FO3N4C39H53 (1)
Stoich.:	AB3C4D39E53 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	7.66
IP(EA), eV:	-8.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2CCCCC2)(C(=O)O)N3CC(C(C3)C4=CC(=CC=C4)F)CN5CCC(CC5)CCCC6=CC=CC7=NON=C76

DOS

IR

Vibrations