Geometry & MOs

Info

ID:	175409
PubChem CID:	75899934
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	445.111656
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	1.46
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(benzenesulfonamido)-N-[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]-4-methylsulfanylbutanimidate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NC(=NN2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations