Geometry & MOs

Info

ID:	245479
PubChem CID:	99445165
Reduced:	NCl2S2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	478.203862
ΔH_f, kcal/mol:	-51.19
Dipole, Da:	7.59
IP(EA), eV:	-8.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dicyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NC(=CS2)C[S@](=O)CC3=C(C=CC=C3Cl)Cl)OC

DOS

IR

Vibrations