Geometry & MOs

Info

ID:	27979
PubChem CID:	824501
Reduced:	O5C10H12 (1)
Stoich.:	A5B10C12 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-204.74
Dipole, Da:	4.95
IP(EA), eV:	-11.13(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-5-methoxycarbonyl-6-methyl-5,7-dihydro-4H-1,2-benzoxazole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]23COC(=O)C[C@H]2[C@@H]([C@H]1O3)C(=O)O

DOS

IR

Vibrations