Geometry & MOs

Info

ID:	181260
PubChem CID:	76723643
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	415.153892
ΔH_f, kcal/mol:	11.7
Dipole, Da:	5.19
IP(EA), eV:	-9.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[6-(piperidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C=CCCOC)NC(=O)[CH]

DOS

IR

Vibrations