Geometry & MOs

Info

ID:	226792
PubChem CID:	87558341
Reduced:	SN3O4C11H15 (2)
Stoich.:	AB3C4D11E15 (2)
Weight, g/mol:	372.240502
ΔH_f, kcal/mol:	-248.68
Dipole, Da:	7.78
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(tetrabutyl-lambda5-phosphanyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C[S+](CCC(C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations