Geometry & MOs

Info

ID:	378875
PubChem CID:	134224977
Reduced:	OSF3N7C22H24 (1)
Stoich.:	ABC3D7E22F24 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-98.36
Dipole, Da:	5.27
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-oxo-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazol-1-yl]thian-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1SN2CCC(CC2)(C(=O)NCC(F)(F)F)NC3=NC(=NC=C3)C4=CNC5=C4C=CC=N5

DOS

IR

Vibrations