Geometry & MOs

Info

ID:	332900
PubChem CID:	127251324
Reduced:	FSO2N5C19H26 (1)
Stoich.:	ABC2D5E19F26 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	4.54
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[3-[6-methyl-4-(pyrimidin-2-ylamino)pyridin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC(C1)C2=NC(=CC(=C2)NC3=NC=C(C=C3)F)C

DOS

IR

Vibrations