Geometry & MOs

Info

ID:	326110
PubChem CID:	126686514
Reduced:	ClFSO2N8C28H30 (1)
Stoich.:	ABCD2E8F28G30 (1)
Weight, g/mol:	146.982276
ΔH_f, kcal/mol:	23.04
Dipole, Da:	12.41
IP(EA), eV:	-9.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-oxo-(trifluoromethoxy)phosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2/C=C(\C/C=C(\C=N/C2=C)/Cl)/C3=NC=C(C(=N3)NC4CCCN(C4)CC5=NC=CN5)F

DOS

IR

Vibrations