Geometry & MOs

Info

ID:	65090
PubChem CID:	29204453
Reduced:	ClSO3N4C24H27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	12.15
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations