Geometry & MOs

Info

ID:	229248
PubChem CID:	87567266
Reduced:	NO7C9H17 (1)
Stoich.:	AB7C9D17 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-345.25
Dipole, Da:	4.94
IP(EA), eV:	-10.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)CCO.C(=O)(O)O

DOS

IR

Vibrations