Geometry & MOs

Info

ID:	422860
PubChem CID:	135118530
Reduced:	FON4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	550.290368
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	2.76
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)F)CO

DOS

IR

Vibrations