Geometry & MOs

Info

ID:	437363
PubChem CID:	135226172
Reduced:	ClFO3N4H30C32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	5.56
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)NC34CCC(CC3)CC4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl

DOS

IR

Vibrations