Geometry & MOs

Info

ID:	352492
PubChem CID:	127283580
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	8.96
IP(EA), eV:	-9.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations