Geometry & MOs

Info

ID:	378824
PubChem CID:	134224925
Reduced:	SO2F3N7C19H20 (1)
Stoich.:	AB2C3D7E19F20 (1)
Weight, g/mol:	383.116444
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	6.78
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-3-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)N1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations