Geometry & MOs

Info

ID:	155588
PubChem CID:	56366088
Reduced:	ClSF2N2O3C21H21 (1)
Stoich.:	ABC2D2E3F21G21 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-193.07
Dipole, Da:	3.83
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxocinnolin-1-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations