Geometry & MOs

Info

ID:	151043
PubChem CID:	53790740
Reduced:	PO4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	268.128572
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	0.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.081125
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-2-(2-phenylcyclopentyl)benzene

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C1=CC=CC(=C1)CCC[P+](=O)OC

DOS

IR

Vibrations