Geometry & MOs

Info

ID:	326187
PubChem CID:	126687019
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	488.130984
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	4.1
IP(EA), eV:	-9.26(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfinylpiperidin-3-yl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CC=C

DOS

IR

Vibrations