Geometry & MOs

Info

ID:	378826
PubChem CID:	134224927
Reduced:	OSN7C17H17 (1)
Stoich.:	ABC7D17E17 (1)
Weight, g/mol:	483.130043
ΔH_f, kcal/mol:	112.3
Dipole, Da:	7.57
IP(EA), eV:	-8.87(-0.82)
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]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations