Geometry & MOs

Info

ID:	421693
PubChem CID:	135116434
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	620.311104
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	2.42
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-(1-methylindole-2-carbonyl)-6-(2-pyridin-3-ylacetyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

COC1=NC=CN=C1N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations