Geometry & MOs

Info

ID:	155250
PubChem CID:	56323667
Reduced:	BrClSN3O3C18H19 (1)
Stoich.:	ABCD3E3F18G19 (1)
Weight, g/mol:	471.05422
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	7.03
IP(EA), eV:	-9.35(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations