Geometry & MOs

Info

ID:	334431
PubChem CID:	127252983
Reduced:	ClNO6C25H26 (1)
Stoich.:	ABC6D25E26 (1)
Weight, g/mol:	452.1139
ΔH_f, kcal/mol:	-188.89
Dipole, Da:	6.02
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(1H-indol-4-ylamino)-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)NCCC4=CC=C(C=C4)OC

DOS

IR

Vibrations