Geometry & MOs

Info

ID:	27169
PubChem CID:	818437
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	3.82
IP(EA), eV:	-10.29(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-methylanilino)-4-oxo-3-[(2R)-oxolan-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](O1)[C@@H]3[C@]2(C(=O)OC3)C

DOS

IR

Vibrations