Geometry & MOs

Info

ID:	417529
PubChem CID:	135099182
Reduced:	NO3F4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	545.311438
ΔH_f, kcal/mol:	-337.94
Dipole, Da:	5.89
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8S,14S)-10,14-dibenzyl-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC(=C(C=C2)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations