Geometry & MOs

Info

ID:	334386
PubChem CID:	127252938
Reduced:	ClNO7C24H24 (1)
Stoich.:	ABC7D24E24 (1)
Weight, g/mol:	479.094721
ΔH_f, kcal/mol:	-228.17
Dipole, Da:	1.84
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(C4=CC(=CC=C4)O)O

DOS

IR

Vibrations