Geometry & MOs

Info

ID:	86280
PubChem CID:	49883726
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations