Geometry & MOs

Info

ID:	80905
PubChem CID:	49853847
Reduced:	SO2N7C20H27 (1)
Stoich.:	AB2C7D20E27 (1)
Weight, g/mol:	357.071404
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	3.7
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-chloro-4-fluorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CC[C@@H]([C@H]4C(=O)N)C

DOS

IR

Vibrations