Geometry & MOs

Info

ID:	335077
PubChem CID:	127253883
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	458.135698
ΔH_f, kcal/mol:	-157.63
Dipole, Da:	6.8
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-(pyrimidin-2-ylamino)ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)N)C(=O)CCCN3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations