Geometry & MOs

Info

ID:	334644
PubChem CID:	127253319
Reduced:	ClN2O6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	511.125861
ΔH_f, kcal/mol:	-207.22
Dipole, Da:	3.95
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[5-methoxy-2-(tetrazol-1-yl)anilino]-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)NCCN4CCOCC4

DOS

IR

Vibrations