Geometry & MOs

Info

ID:	401066
PubChem CID:	135049961
Reduced:	NS2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	543.72142
ΔH_f, kcal/mol:	96.33
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.108719
Charge, e:	0

Chem-info

IUPAC name:

1,1,3,4-tetrabromo-1-[2-(4-chlorophenyl)ethyl]-1lambda5-phospholane

Drug info:

PubChemData

Smile

C1C(S[S+]=C1C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations