Geometry & MOs

Info

ID:	86047
PubChem CID:	49881321
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	2.94
IP(EA), eV:	-8.89(-0.35)
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-(2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)OC(C)C)C2(COC3=CC=CC=C3O2)C

DOS

IR

Vibrations