Geometry & MOs

Info

ID:	333997
PubChem CID:	127252549
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	453.064901
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	6.06
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations