Geometry & MOs

Info

ID:	142665
PubChem CID:	53073572
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	7.29
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)S(=O)(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations