Geometry & MOs

Info

ID:	334115
PubChem CID:	127252667
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	407.113565
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	7.06
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-morpholin-4-ylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=C(N2)C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations