Geometry & MOs

Info

ID:	415388
PubChem CID:	135088382
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	562.331919
ΔH_f, kcal/mol:	-154.15
Dipole, Da:	5.99
IP(EA), eV:	-9.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-6-[(4-fluorophenyl)methyl]-2-(3-methylbutanoyl)-14-[(E)-3-phenylprop-2-enoyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)CCC3=CC=C(C=C3)O

DOS

IR

Vibrations