Geometry & MOs

Info

ID:	84520
PubChem CID:	49867253
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	5.41
IP(EA), eV:	-9.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](C2=C(N=CC=C2)N(C1=O)O)O

DOS

IR

Vibrations