Geometry & MOs

Info

ID:	180583
PubChem CID:	76657542
Reduced:	NOSF3C20H28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	434.192961
ΔH_f, kcal/mol:	-179.27
Dipole, Da:	5.62
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1H-imidazol-5-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)CC(CC1=CC(=C(C=C1F)F)F)C2CC3CCC(C2)N3

DOS

IR

Vibrations