Geometry & MOs

Info

ID:	142514
PubChem CID:	53048139
Reduced:	ClSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	354.112819
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	3.99
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations