Geometry & MOs

Info

ID:	410590
PubChem CID:	135083390
Reduced:	OPC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	642.469455
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	5.22
IP(EA), eV:	-9.09(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,16S)-15,16-bis(dicyclohexylphosphoryl)tetracyclo[6.6.2.02,7.09,14]hexadecane

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)CP(=O)(C2)C

DOS

IR

Vibrations