Geometry & MOs

Info

ID:	26519
PubChem CID:	650806
Reduced:	ClON2H7C12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	463.134797
ΔH_f, kcal/mol:	46.15
Dipole, Da:	3.16
IP(EA), eV:	-9.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations