Geometry & MOs

Info

ID:	226899
PubChem CID:	87558856
Reduced:	O2N3F4C19H19 (1)
Stoich.:	A2B3C4D19E19 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-229.18
Dipole, Da:	1.83
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[(E)-but-2-enyl]-methylamino]-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)OC3=NC=C(C=C3)C(=O)N)CCC(C(F)F)(F)F

DOS

IR

Vibrations