Geometry & MOs

Info

ID:	378733
PubChem CID:	134224829
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	469.114393
ΔH_f, kcal/mol:	68.96
Dipole, Da:	2.43
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-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

CNC(=O)CC1(CN(C1)SC)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations