Geometry & MOs

Info

ID:	45967
PubChem CID:	10519869
Reduced:	FO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-150.22
Dipole, Da:	3.23
IP(EA), eV:	-9.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-4-[[(2R,3S,5S)-3-hydroxy-5-phenylheptan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@]23CC[C@H]4CCCC[C@]4([C@H](O2)OC)OO3

DOS

IR

Vibrations