Geometry & MOs

Info

ID:	68110
PubChem CID:	46507763
Reduced:	SF2O2N5H17C22 (1)
Stoich.:	AB2C2D5E17F22 (1)
Weight, g/mol:	475.131425
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	5.67
IP(EA), eV:	-9.05(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)F)F)C=C2

DOS

IR

Vibrations