Geometry & MOs

Info

ID:	297254
PubChem CID:	117614182
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	467.199111
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[3-(4-tert-butylsulfonylanilino)-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@@H]4CCCCC[C@H]4C#N

DOS

IR

Vibrations