Geometry & MOs

Info

ID:	414678
PubChem CID:	135087637
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	571.315855
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	4.51
IP(EA), eV:	-8.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations