Geometry & MOs

Info

ID:	332917
PubChem CID:	127251341
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	422.223038
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	5.38
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]-6-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)S(=O)(=O)C3=C(ON=C3C)C)NC4=NC=CC=N4

DOS

IR

Vibrations