Geometry & MOs

Info

ID:	332913
PubChem CID:	127251337
Reduced:	FSO2N6C21H25 (1)
Stoich.:	ABC2D6E21F25 (1)
Weight, g/mol:	438.162267
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	5.25
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC(C2)C3=NC(=CC(=C3)NC4=NC=C(C=C4)F)C

DOS

IR

Vibrations