Geometry & MOs

Info

ID:	86309
PubChem CID:	49884022
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	478.063317
ΔH_f, kcal/mol:	-111.69
Dipole, Da:	3.2
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations