Geometry & MOs

Info

ID:	410215
PubChem CID:	135083006
Reduced:	ClN2O10H27C34 (1)
Stoich.:	AB2C10D27E34 (1)
Weight, g/mol:	184.138088
ΔH_f, kcal/mol:	1.3
Dipole, Da:	7.56
IP(EA), eV:	-7.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-9,9,9-trimethyl-9lambda5-phosphatricyclo[4.2.1.02,5]nonane

Drug info:

PubChemData

Smile

COC1=CC2C(C(=C1)C(=O)O[C@H]\3COC(=O)C[C@@H](C4=CC(=C(C(=C4)Cl)O[C@@H]5C#C/C=C3\C#CC6=CC=C[C@]56O)O)N)NC(=O)C(=C)O2

DOS

IR

Vibrations