Geometry & MOs

Info

ID:	184988
PubChem CID:	77237698
Reduced:	ClFN3O5C30H45 (1)
Stoich.:	ABC3D5E30F45 (1)
Weight, g/mol:	561.134792
ΔH_f, kcal/mol:	-303.33
Dipole, Da:	2.72
IP(EA), eV:	-9.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(acetamidomethyl)-8-[(2-chloro-4-fluorophenyl)sulfamoyl]-3-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid

Drug info:

PubChemData

Smile

COCCCCC(C1CCCN(C1)C(=O)NC2CN(CCC2C3CCCCC3)C(=O)O)(C4=C(C(=CC=C4)Cl)F)O

DOS

IR

Vibrations