Geometry & MOs

Info

ID:	360363
PubChem CID:	127301008
Reduced:	SO2N5C16H25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	388.13176
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	5.12
IP(EA), eV:	-9.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-methyl-N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations