Geometry & MOs

Info

ID:	62938
PubChem CID:	26737705
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	5.33
IP(EA), eV:	-9.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=NC4=C(C3=O)OC5=CC=CC=C54

DOS

IR

Vibrations