Geometry & MOs

Info

ID:	297197
PubChem CID:	117612732
Reduced:	SO4N5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	497.184524
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	8.0
IP(EA), eV:	-9.16(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-morpholin-4-ylsulfonylanilino)-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@@]4(CCOC4)CC#N

DOS

IR

Vibrations