Geometry & MOs

Info

ID:	242820
PubChem CID:	99213179
Reduced:	FN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	1.99
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-naphthalen-1-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3F

DOS

IR

Vibrations