Geometry & MOs

Info

ID:	415523
PubChem CID:	135088519
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	492.248504
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.76
IP(EA), eV:	-8.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations