Geometry & MOs

Info

ID:	384304
PubChem CID:	134976721
Reduced:	BrPC26H28 (1)
Stoich.:	ABC26D28 (1)
Weight, g/mol:	448.185343
ΔH_f, kcal/mol:	48.3
Dipole, Da:	6.25
IP(EA), eV:	-8.37(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-2,2-dichloro-3-phenyl-1-(2,4,6-tritert-butylphenyl)phosphirane

Drug info:

PubChemData

Smile

CC1=C(CC(CC1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br)C

DOS

IR

Vibrations