Geometry & MOs

Info

ID:	60346
PubChem CID:	26683855
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	9.49
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)C#N)OC

DOS

IR

Vibrations