Geometry & MOs

Info

ID:	122763
PubChem CID:	50820444
Reduced:	FSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	407.12161
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	2.58
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F)N(C1=O)C

DOS

IR

Vibrations