Geometry & MOs

Info

ID:	226268
PubChem CID:	87350278
Reduced:	ClN4O4F6H21C25 (1)
Stoich.:	AB4C4D6E21F25 (1)
Weight, g/mol:	423.15291
ΔH_f, kcal/mol:	-415.53
Dipole, Da:	5.16
IP(EA), eV:	-9.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfanyl-2H-pyridin-4-yl)propyl]pyrazolo[3,4-c]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2C(=CC(=N2)C(F)(F)F)C(F)(F)F)NC(=O)C3=C(C(=CC=C3)Cl)C(=O)NC(C)(C)C(=O)O

DOS

IR

Vibrations