Geometry & MOs

Info

ID:	334134
PubChem CID:	127252686
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	513.166663
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	2.51
IP(EA), eV:	-8.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-2-(dimethylamino)-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(C4=CC=CC=C4N(C3=O)C)O

DOS

IR

Vibrations