Geometry & MOs

Info

ID:	334390
PubChem CID:	127252942
Reduced:	N5O6C28H33 (1)
Stoich.:	A5B6C28D33 (1)
Weight, g/mol:	473.12413
ΔH_f, kcal/mol:	-143.94
Dipole, Da:	9.1
IP(EA), eV:	-8.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NC4=CNN=C4)OC)OC)OC

DOS

IR

Vibrations