Geometry & MOs

Info

ID:	419205
PubChem CID:	135107742
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	418.305624
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	6.49
IP(EA), eV:	-9.06(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-(3-methylbutanoyl)-6-[(1-methylimidazol-2-yl)methyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CCN4C(=O)C5=CC=CC=C5S4(=O)=O

DOS

IR

Vibrations