Geometry & MOs

Info

ID:	162526
PubChem CID:	57394947
Reduced:	ClON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	3.26
IP(EA), eV:	-8.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCO[C@@H](C)C1=NC2=C(C[C@H]3N2[C@@H](CNC3)C)C=C1.Cl

DOS

IR

Vibrations