Geometry & MOs

Info

ID:	192445
PubChem CID:	78270316
Reduced:	ClON2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	390.159986
ΔH_f, kcal/mol:	6.91
Dipole, Da:	5.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.918430
Charge, e:	1

Chem-info

IUPAC name:

4-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazolidin-2-ium-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)C[NH2+]CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations