Geometry & MOs

Info

ID:	84524
PubChem CID:	49867259
Reduced:	N2O13C39H70 (1)
Stoich.:	A2B13C39D70 (1)
Weight, g/mol:	131.058243
ΔH_f, kcal/mol:	-579.97
Dipole, Da:	2.25
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCC/C=C\CCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC

DOS

IR

Vibrations