Geometry & MOs

Info

ID:	297196
PubChem CID:	117612677
Reduced:	O3N4C35H60 (1)
Stoich.:	A3B4C35D60 (1)
Weight, g/mol:	455.162725
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	6.04
IP(EA), eV:	-7.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[3-(4-tert-butylsulfonylanilino)-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]oxolan-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(C(=C1)OC)N=C2C(=NN(C2=O)C(C)(C)C)C(C)(C)C)OC

DOS

IR

Vibrations