Geometry & MOs

Info

ID:	86025
PubChem CID:	49881124
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	559.155926
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	6.38
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations