Geometry & MOs

Info

ID:	142668
PubChem CID:	53073575
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	435.045583
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	5.76
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations