Geometry & MOs

Info

ID:	170245
PubChem CID:	75212047
Reduced:	ClNF3O3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	486.272987
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	2.24
IP(EA), eV:	-9.67(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)spiro[2,3-dihydropyrrole-4,3'-2H-indole]-2'-yl]propanedioate

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)C(=C(C2C=C1C(F)(F)F)C3=C(C=CC(=C3)Cl)O)CCO

DOS

IR

Vibrations