Geometry & MOs

Info

ID:	423113
PubChem CID:	135118959
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	545.275053
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	3.06
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)N3CCC(C3)(C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations