Geometry & MOs

Info

ID:	378823
PubChem CID:	134224924
Reduced:	SF3O3N7C18H20 (1)
Stoich.:	AB3C3D7E18F20 (1)
Weight, g/mol:	467.135129
ΔH_f, kcal/mol:	-177.82
Dipole, Da:	7.5
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfinyl-3-[[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)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations