Geometry & MOs

Info

ID:	332906
PubChem CID:	127251330
Reduced:	SF2O2N4C22H22 (1)
Stoich.:	AB2C2D4E22F22 (1)
Weight, g/mol:	424.171082
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	4.5
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-1-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)C3=NC(=CC(=C3)NC4=NC=C(C=C4)F)C)F

DOS

IR

Vibrations