Geometry & MOs

Info

ID:	334739
PubChem CID:	127253414
Reduced:	O2N3C22H37 (1)
Stoich.:	A2B3C22D37 (1)
Weight, g/mol:	461.135363
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	7.49
IP(EA), eV:	-7.96(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N(CCCOC)C[C@@H]2CCCN3[C@@H]2CCCC3)C

DOS

IR

Vibrations