Geometry & MOs

Info

ID:	431817
PubChem CID:	135171923
Reduced:	S2F3O3N5C23H32 (1)
Stoich.:	A2B3C3D5E23F32 (1)
Weight, g/mol:	459.2362
ΔH_f, kcal/mol:	-220.87
Dipole, Da:	10.25
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-iodo-11,16-dimethyl-11-azatricyclo[10.10.0.02,10]docosane

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)S(=O)C)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations