Geometry & MOs

Info

ID:	243560
PubChem CID:	99226814
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	479.05629
ΔH_f, kcal/mol:	-97.71
Dipole, Da:	10.29
IP(EA), eV:	-9.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluorophenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)NC(=O)C)NC(=O)C2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations