Geometry & MOs

Info

ID:	86358
PubChem CID:	49884448
Reduced:	ClSF3O3N4H24C25 (1)
Stoich.:	ABC3D3E4F24G25 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	9.5
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NN=C(N2CC=C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations