Geometry & MOs

Info

ID:	414816
PubChem CID:	135087779
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	457.232519
ΔH_f, kcal/mol:	4.6
Dipole, Da:	3.56
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C

DOS

IR

Vibrations