Geometry & MOs

Info

ID:	169794
PubChem CID:	75149851
Reduced:	BrON3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	536.05745
ΔH_f, kcal/mol:	-13.54
Dipole, Da:	6.58
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)sulfanyl-3-methoxy-1-phenylpropan-2-yl]oxy-diphenylphosphane

Drug info:

PubChemData

Smile

C1CC2C(C(C(=O)NC2Br)CCN3C=CN=C3)C4=CC=CC=C4C1

DOS

IR

Vibrations