Geometry & MOs

Info

ID:	141656
PubChem CID:	52909557
Reduced:	ClS2N3O5C21H24 (1)
Stoich.:	AB2C3D5E21F24 (1)
Weight, g/mol:	315.091572
ΔH_f, kcal/mol:	-73.87
Dipole, Da:	13.24
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4-ethylphenyl)-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]azanide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N(CC3CC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations