Geometry & MOs

Info

ID:	244162
PubChem CID:	99319133
Reduced:	SF2O2N4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	483.154052
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	1.84
IP(EA), eV:	-8.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)C)C3=CSC(=N3)C

DOS

IR

Vibrations