Geometry & MOs

Info

ID:	282426
PubChem CID:	103926391
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-185.8
Dipole, Da:	6.5
IP(EA), eV:	-10.01(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(2-methylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations