Geometry & MOs

Info

ID:	132795
PubChem CID:	51422267
Reduced:	NO4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	-147.36
Dipole, Da:	7.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763496
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-methyl-2-(prop-2-enylcarbamoylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)[C@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)[O-])O2

DOS

IR

Vibrations