Geometry & MOs

Info

ID:	223997
PubChem CID:	85336723
Reduced:	O2F3N5C21H26 (1)
Stoich.:	A2B3C5D21E26 (1)
Weight, g/mol:	433.153464
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]hex-5-ynyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1)CN2CCC(CC2)COC3=NC(=NN3C4=CC=CC=C4F)C(F)F

DOS

IR

Vibrations