Geometry & MOs

Info

ID:	384602
PubChem CID:	134977295
Reduced:	PSO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	400.00891
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	16.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767776
Charge, e:	0

Chem-info

IUPAC name:

ethyl (iodo-methyl-diphenyl-lambda5-phosphanyl)formate

Drug info:

PubChemData

Smile

COC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)O

DOS

IR

Vibrations