Geometry & MOs

Info

ID:	332912
PubChem CID:	127251336
Reduced:	FO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	444.174373
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	7.58
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-(5-fluoropyridin-2-yl)-6-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)COCCN3CCCC3=O)NC4=NC=C(C=C4)F

DOS

IR

Vibrations