Geometry & MOs

Info

ID:	334939
PubChem CID:	127253745
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	445.129215
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	11.43
IP(EA), eV:	-9.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[3-(furan-2-yl)propylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4=CC=CO4

DOS

IR

Vibrations