Geometry & MOs

Info

ID:	298738
PubChem CID:	117655224
Reduced:	PO2H24C26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	482.149856
ΔH_f, kcal/mol:	35.17
Dipole, Da:	9.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000848
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(fluoromethyl)-2,2-dimethyl-5-[4-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]phenyl]-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations