Geometry & MOs

Info

ID:	78632
PubChem CID:	49703255
Reduced:	SN4O5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	9.3
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations