Geometry & MOs

Info

ID:	86312
PubChem CID:	49884044
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	1.68
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C)C2(COC3=CC=CC=C3O2)C

DOS

IR

Vibrations