Geometry & MOs

Info

ID:	143176
PubChem CID:	53158151
Reduced:	ClSN4O4H15C20 (1)
Stoich.:	ABC4D4E15F20 (1)
Weight, g/mol:	418.094705
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	6.03
IP(EA), eV:	-9.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1,3-benzodioxol-5-yl-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfonyl]amino]acetate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=CC=C3Cl)S(=O)(=O)C4=CN5C=NN=C5C=C4

DOS

IR

Vibrations