Geometry & MOs

Info

ID:	136814
PubChem CID:	52105502
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	419.031337
ΔH_f, kcal/mol:	78.59
Dipole, Da:	1.82
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1,3-dioxobenzo[de]isoquinolin-5-yl)sulfonyl-[3-(trifluoromethyl)phenyl]azanide

Drug info:

PubChemData

Smile

CC1=NN(C2=CN(N=C12)CC(=O)NCC3=CN=CC=C3)C

DOS

IR

Vibrations