Geometry & MOs

Info

ID:	169795
PubChem CID:	75149899
Reduced:	BrPSO2H26C28 (1)
Stoich.:	ABCD2E26F28 (1)
Weight, g/mol:	514.209539
ΔH_f, kcal/mol:	1.96
Dipole, Da:	2.39
IP(EA), eV:	-8.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(C(C1=CC=CC=C1)SC2=CC=C(C=C2)Br)OP(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations