Geometry & MOs

Info

ID:	173560
PubChem CID:	75652878
Reduced:	SO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	478.144154
ΔH_f, kcal/mol:	33.45
Dipole, Da:	12.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874871
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(=CNNC(=O)C3=CC=CC=C3)C(=NC2=S)[O-]

DOS

IR

Vibrations