Geometry & MOs

Info

ID:	334849
PubChem CID:	127253655
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	491.091784
ΔH_f, kcal/mol:	-168.99
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CC=CO4

DOS

IR

Vibrations