Geometry & MOs

Info

ID:	143261
PubChem CID:	53175753
Reduced:	FSN4O4C17H17 (1)
Stoich.:	ABC4D4E17F17 (1)
Weight, g/mol:	350.08489
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	7.16
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(3-fluoro-4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=COC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations