Geometry & MOs

Info

ID:	86274
PubChem CID:	49883655
Reduced:	SN4O5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	8.01
IP(EA), eV:	-8.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorophenoxy)butylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)SC2=NN=C(N2CC)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations