Geometry & MOs

Info

ID:	421240
PubChem CID:	135115636
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	540.367556
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	3.39
IP(EA), eV:	-9.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-14-(2-phenylmethoxyacetyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations