Geometry & MOs

Info

ID:	396769
PubChem CID:	135029172
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-195.98
Dipole, Da:	4.87
IP(EA), eV:	-9.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-5-acetyl-3-(hydroxymethyl)-2-oxido-4-phenyl-4H-1,2-oxazol-2-ium-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CC2(C=CC(=O)C=C2)C(=C)C=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations