Geometry & MOs

Info

ID:	340780
PubChem CID:	127262792
Reduced:	OPC47H65 (1)
Stoich.:	ABC47D65 (1)
Weight, g/mol:	570.34491
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	0.8
IP(EA), eV:	-7.91(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-adamantyl)-[2-[2,6-di(propan-2-yl)phenyl]sulfanylphenyl]phosphane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)COC2=C(C3=C(CCCC3)C=C2)C4=C(C=CC5=C4CCCC5)P(C6CCCCC6)C7CCCCC7)C(C)(C)C

DOS

IR

Vibrations