Geometry & MOs

Info

ID:	419633
PubChem CID:	135108568
Reduced:	ClO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	2.44
IP(EA), eV:	-8.89(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations