Geometry & MOs

Info

ID:	144637
PubChem CID:	53390498
Reduced:	FSCl2N4O4H21C25 (1)
Stoich.:	ABC2D4E4F21G25 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-121.01
Dipole, Da:	5.29
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,13R,16S)-13-benzyl-9-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=C(C=CC(=C2)C#N)OC3=CC(=CC(=C3)Cl)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations