Geometry & MOs

Info

ID:

59762

PubChem CID:

24896131

Reduced:

As2F2S4O5H16C24 (1)

Stoich.:

A2B2C4D5E16F24 (1)

Weight, g/mol:

482.362077

ΔHf, kcal/mol:

2.92

Dipole, Da:

6.96

IP(EA), eV:

 -8.57(-2.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[8-[2-[cyclohexylmethyl-[4-(dimethylamino)butanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)[O-])F)C(=O)[O-].C(C[S-])[S-].C(C[S-])[S-].[As+3].[As+3]

DOS

IR

Vibrations