Geometry & MOs

Info

ID:	410593
PubChem CID:	135083393
Reduced:	O2P2C31H54 (1)
Stoich.:	A2B2C31D54 (1)
Weight, g/mol:	424.266005
ΔH_f, kcal/mol:	-232.1
Dipole, Da:	5.43
IP(EA), eV:	-9.12(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-3,9-dicyclohexyl-5,12-dimethyl-3lambda5,9lambda5-diphosphatricyclo[6.2.2.02,7]dodecane 3,9-dioxide

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)(C2CCCCC2)C3[C@@H]4CC[C@@H](C4)C3P(=O)(C5CCCCC5)C6CCCCC6

DOS

IR

Vibrations