Geometry & MOs

Info

ID:	334346
PubChem CID:	127252898
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	442.093164
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	2.48
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,2'Z,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-2'-[(pyridin-3-ylamino)methylidene]spiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CNC(=O)CCCNC(=O)C3=NC=CN=C3

DOS

IR

Vibrations