Geometry & MOs

Info

ID:	387180
PubChem CID:	134984314
Reduced:	SP2F3O3C38H62 (1)
Stoich.:	AB2C3D3E38F62 (1)
Weight, g/mol:	619.971384
ΔH_f, kcal/mol:	-365.59
Dipole, Da:	7.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793296
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=P(C)(C2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations