Geometry & MOs

Info

ID:	334748
PubChem CID:	127253423
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	523.151013
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	4.27
IP(EA), eV:	-8.46(0.34)
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-(oxolan-2-yl)-3H-benzimidazol-5-yl]amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CN(CC3CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations