Geometry & MOs

Info

ID:	388557
PubChem CID:	134989506
Reduced:	NSO3C5H7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	3.03
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-2-amino-3-hydroxyoct-4-enoate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)O1)O)C

DOS

IR

Vibrations