Geometry & MOs

Info

ID:	378868
PubChem CID:	134224970
Reduced:	SO3F4N7C19H19 (1)
Stoich.:	AB3C4D7E19F19 (1)
Weight, g/mol:	469.130792
ΔH_f, kcal/mol:	-223.03
Dipole, Da:	6.53
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfanyl-3-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations