Geometry & MOs

Info

ID:	156595
PubChem CID:	56371288
Reduced:	ClS2O3N5C17H24 (1)
Stoich.:	AB2C3D5E17F24 (1)
Weight, g/mol:	468.12496
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	4.04
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SC(C)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations