Geometry & MOs

Info

ID:	384293
PubChem CID:	134976698
Reduced:	PBr2N2O2H19C21 (1)
Stoich.:	AB2C2D2E19F21 (1)
Weight, g/mol:	445.174306
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	8.9
IP(EA), eV:	-8.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5S)-5-methyl-2-naphthalen-1-yl-1-(2-trimethylsilylethylsulfonyl)-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(C(C(=O)NC(=O)N)Br)Br

DOS

IR

Vibrations