Geometry & MOs

Info

ID:	85989
PubChem CID:	49880840
Reduced:	ClSO3N4H23C26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	3.6
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations