Geometry & MOs

Info

ID:	384224
PubChem CID:	134976568
Reduced:	PO7C22H31 (1)
Stoich.:	AB7C22D31 (1)
Weight, g/mol:	316.108445
ΔH_f, kcal/mol:	-316.22
Dipole, Da:	4.91
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl-methylphosphoryl]sulfanylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCCP(=O)(OCC)OCC1=CC(=CC=C1)OC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations