Geometry & MOs

Info

ID:	341913
PubChem CID:	127264606
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	459.204573
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	5.55
IP(EA), eV:	-9.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,3'aR,8'aS,9'S,9'aS)-1'-methyl-3'-oxo-N,N-diphenylspiro[1,3-dioxolane-2,6'-1,3a,5,7,8,8a,9,9a-octahydrobenzo[f][2]benzofuran]-9'-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CN(C[C@@H]1C(=O)O)CC2=CC=CC=C2

DOS

IR

Vibrations