Geometry & MOs

Info

ID:	415776
PubChem CID:	135088777
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	557.275053
ΔH_f, kcal/mol:	74.74
Dipole, Da:	1.23
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-11-(2-indazol-1-ylacetyl)-5-(1H-indol-3-ylmethyl)-2-methyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1N2CCCC(C2)C3=NC(=NO3)C4=CC=CC=C4)N

DOS

IR

Vibrations