Geometry & MOs

Info

ID:	49660
PubChem CID:	11533488
Reduced:	Cl2N5O5H19C22 (1)
Stoich.:	A2B5C5D19E22 (1)
Weight, g/mol:	504.154192
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	5.94
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4'-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]-3-oxospiro[2-benzofuran-1,1'-cyclohexane]-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC2=NNC(=O)N2C1C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O

DOS

IR

Vibrations