Geometry & MOs

Info

ID:	78652
PubChem CID:	49703425
Reduced:	SN4O6H18C20 (1)
Stoich.:	AB4C6D18E20 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-135.02
Dipole, Da:	8.32
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations