Geometry & MOs

Info

ID:	61267
PubChem CID:	26707598
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	6.83
IP(EA), eV:	-9.55(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations