Geometry & MOs

Info

ID:	53990
PubChem CID:	14719307
Reduced:	NO4C28H47 (1)
Stoich.:	AB4C28D47 (1)
Weight, g/mol:	423.254022
ΔH_f, kcal/mol:	-235.42
Dipole, Da:	4.7
IP(EA), eV:	-9.78(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[3-[(2-chloro-2-cyclohexylacetyl)amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(C(=O)NC2CC3CC(C2C/C=C/CCCC(=O)O)C3(C)C)O

DOS

IR

Vibrations