Geometry & MOs

Info

ID:	392686
PubChem CID:	135017611
Reduced:	NO7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-210.63
Dipole, Da:	3.22
IP(EA), eV:	-10.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S,7S,7aR)-1-(4-methoxyphenyl)-3-oxo-7-phenylmethoxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)[C@@](C[N+](=O)[O-])(C(=O)OCC)O

DOS

IR

Vibrations