Geometry & MOs

Info

ID:	422681
PubChem CID:	135118238
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	566.321668
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	0.57
IP(EA), eV:	-8.69(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-14-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(3-methylbutanoyl)-6-(2-pyridin-3-ylacetyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations