Geometry & MOs

Info

ID:	378911
PubChem CID:	134225014
Reduced:	N6C49H54 (1)
Stoich.:	A6B49C54 (1)
Weight, g/mol:	495.154944
ΔH_f, kcal/mol:	309.45
Dipole, Da:	4.02
IP(EA), eV:	-8.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)sulfonylethyl]-8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C/C=C\C1=C(CCN1C(C)/C=C\C(=C)CCC=NC(=NC(=NC)C2=CC=CC=C2N3C=CC4=C3C#CC=C4)[C@H]5CCCCC5N6C=CC7=C6CCC=C7)C=C

DOS

IR

Vibrations