Geometry & MOs

Info

ID:	51559
PubChem CID:	12014251
Reduced:	O2N3F6H7C16 (1)
Stoich.:	A2B3C6D7E16 (1)
Weight, g/mol:	542.303224
ΔH_f, kcal/mol:	-302.88
Dipole, Da:	11.82
IP(EA), eV:	-9.74(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5R,6S)-5-[(R)-methoxy-[(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]oxymethyl]-6-methylbicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC3=C2C4=C(N3)C(=NN=C4C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations