Geometry & MOs

Info

ID:	321984
PubChem CID:	126667665
Reduced:	ClNO7C15H16 (1)
Stoich.:	ABC7D15E16 (1)
Weight, g/mol:	297.121237
ΔH_f, kcal/mol:	-206.56
Dipole, Da:	6.31
IP(EA), eV:	-9.99(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,7aR)-6-acetyl-3-tert-butyl-7-hydroxy-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@]1(OC[C@@H]2OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations