Geometry & MOs

Info

ID:	50505
PubChem CID:	12013047
Reduced:	BrNPSO2H27C30 (1)
Stoich.:	ABCDE2F27G30 (1)
Weight, g/mol:	513.0527
ΔH_f, kcal/mol:	24.42
Dipole, Da:	7.04
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo-[(1-methyl-5-methylsulfonylpyrrol-2-yl)methyl]-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CN1C(=CC=C1S(=O)(=O)C2=CC=CC=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br

DOS

IR

Vibrations