Geometry & MOs

Info

ID:	156563
PubChem CID:	56371153
Reduced:	SN3O3H19C24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	432.084531
ΔH_f, kcal/mol:	0.45
Dipole, Da:	5.24
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations