Geometry & MOs

Info

ID:	412388
PubChem CID:	135085279
Reduced:	RuS2F3N3O4C33H36 (1)
Stoich.:	AB2C3D3E4F33G36 (1)
Weight, g/mol:	299.224915
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	14.44
IP(EA), eV:	-7.91(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-1-butyl-2-hydroxy-2-azatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

[CH3-].CC1=CC=C(C=C1)S(=O)(=O)[N-][C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[NH-].C1=CC=C(C=C1)CCCC[N-]S(=O)(=O)C(F)(F)F.[Ru+4]

DOS

IR

Vibrations