Geometry & MOs

Info

ID:	142666
PubChem CID:	53073573
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	451.081362
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	3.19
IP(EA), eV:	-8.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)S(=O)(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations