Geometry & MOs

Info

ID:	86286
PubChem CID:	49883841
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	467.108582
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	4.73
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations