Geometry & MOs

Info

ID:	381000
PubChem CID:	134971623
Reduced:	NO2H6C9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	521.93019
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	4.92
IP(EA), eV:	-9.02(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)-3-iodoindol-2-yl]-(6-chloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C3C(=C(C2=C1)NN)C(=O)C4=C(C3=O)C=CC=C4O

DOS

IR

Vibrations