Geometry & MOs

Info

ID:	335089
PubChem CID:	127253895
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	471.144865
ΔH_f, kcal/mol:	-118.52
Dipole, Da:	6.12
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2-hydroxy-5-propan-2-ylanilino)-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=CC(=O)N3C2)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations