Geometry & MOs

Info

ID:	311447
PubChem CID:	126592903
Reduced:	Cl2O5H14C15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	297.0404
ΔH_f, kcal/mol:	-192.32
Dipole, Da:	2.56
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(4-chloro-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(OC(=O)C)OC(=O)C1C[C@@H]1C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations